scholarly journals PRIGo: a new multi-axis goniometer for macromolecular crystallography

2015 ◽  
Vol 22 (4) ◽  
pp. 895-900 ◽  
Author(s):  
Sandro Waltersperger ◽  
Vincent Olieric ◽  
Claude Pradervand ◽  
Wayne Glettig ◽  
Marco Salathe ◽  
...  
Keyword(s):  
Data Collection ◽  
High Precision ◽  
Optimal Strategies ◽  
Crystallographic Data ◽  
Air Bearing ◽  
Sample Holder ◽  
Macromolecular Crystallography ◽  
Parallel Kinematics ◽  
Experimental Phasing ◽  
Parallel Robotics

The Parallel Robotics Inspired Goniometer (PRIGo) is a novel compact and high-precision goniometer providing an alternative to (mini-)kappa, traditional three-circle goniometers and Eulerian cradles used for sample reorientation in macromolecular crystallography. Based on a combination of serial and parallel kinematics, PRIGo emulates an arc. It is mounted on an air-bearing stage for rotation around ω and consists of four linear positioners working synchronously to achievex, y, ztranslations and χ rotation (0–90°), followed by a φ stage (0–360°) for rotation around the sample holder axis. Owing to the use of piezo linear positioners and active correction, PRIGo features spheres of confusion of <1 µm, <7 µm and <10 µm for ω, χ and φ, respectively, and is therefore very well suited for micro-crystallography. PRIGo enables optimal strategies for both native and experimental phasing crystallographic data collection. Herein, PRIGo hardware and software, its calibration, as well as applications in macromolecular crystallography are described.

scholarly journals Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering

2016 ◽  
Vol 49 (3) ◽  
pp. 968-975 ◽  
Author(s):  
Philip Roedig ◽  
Ramona Duman ◽  
Juan Sanchez-Weatherby ◽  
Ismo Vartiainen ◽  
Anja Burkhardt ◽  
...  
Keyword(s):  
Data Collection ◽  
Room Temperature ◽  
Structural Changes ◽  
Crystalline Silicon ◽  
Background Level ◽  
Sample Holder ◽  
Macromolecular Crystallography ◽  
Recent Success ◽  
Millisecond Range ◽  
Humidified Air

Recent success at X-ray free-electron lasers has led to serial crystallography experiments staging a comeback at synchrotron sources as well. With crystal lifetimes typically in the millisecond range and the latest-generation detector technologies with high framing rates up to 1 kHz, fast sample exchange has become the bottleneck for such experiments. A micro-patterned chip has been developed from single-crystalline silicon, which acts as a sample holder for up to several thousand microcrystals at a very low background level. The crystals can be easily loaded onto the chip and excess mother liquor can be efficiently removed. Dehydration of the crystals is prevented by keeping them in a stream of humidified air during data collection. Further sealing of the sample holder, for example with Kapton, is not required. Room-temperature data collection from insulin crystals loaded onto the chip proves the applicability of the chip for macromolecular crystallography. Subsequent structure refinements reveal no radiation-damage-induced structural changes for insulin crystals up to a dose of 565.6 kGy, even though the total diffraction power of the crystals has on average decreased to 19.1% of its initial value for the same dose. A decay of the diffracting power by half is observed for a dose ofD1/2= 147.5 ± 19.1 kGy, which is about 1/300 of the dose before crystals show a similar decay at cryogenic temperatures.

Advanced Crystallographic Data Collection Protocols for Experimental Phasing

2016 ◽  
pp. 175-191 ◽  
Author(s):  
Aaron D. Finke ◽  
Ezequiel Panepucci ◽  
Clemens Vonrhein ◽  
Meitian Wang ◽  
Gérard Bricogne ◽  
...  
Keyword(s):  
Data Collection ◽  
Crystallographic Data ◽  
Experimental Phasing

scholarly journals Automatic loop centring with a high-precision goniometer head at the SLS macromolecular crystallography beamlines

2011 ◽  
Vol 18 (4) ◽  
pp. 595-600 ◽  
Author(s):  
Anuschka Pauluhn ◽  
Claude Pradervand ◽  
Daniel Rossetti ◽  
Marco Salathe ◽  
Clemens Schulze-Briese
Keyword(s):  
Data Collection ◽  
Light Source ◽  
High Precision ◽  
Initial Position ◽  
Macromolecular Crystallography ◽  
Centre Of Mass ◽  
Mass Detection ◽  
Swiss Light Source ◽  
Set Up ◽  
Goniometer Head

Automatic loop centring has been developed as part of the automation process in crystallographic data collection at the Swiss Light Source. The procedure described here consists of an optional set-up part, in which the background images are taken, and the actual centring part. The algorithm uses boundary and centre-of-mass detection at two different microscope image magnifications. Micromounts can be handled as well. Centring of the loops can be achieved in 15–26 s, depending on their initial position, and as fast as manual centring. The alignment of the sample is carried out by means of a new flexural-hinge-based compact goniometer head. The device features an electromagnet for robotic wet mounting of samples. The circle of confusion was measured to be smaller than 1 µm (r.m.s.); its bidirectional backlash is below 2 µm.

scholarly journals The State of the Canadian Macromolecular Crystallography Facility

2014 ◽  
Vol 70 (a1) ◽  
pp. C1735-C1735
Author(s):  
James Gorin ◽  
Shaunivan Labiuk ◽  
Julien Cotelesage ◽  
Kathryn Janzen ◽  
Michel Fodje ◽  
...  
Keyword(s):  
Data Collection ◽  
Light Source ◽  
Structure Determination ◽  
Low Energy ◽  
Air Bearing ◽  
Beam Size ◽  
Macromolecular Crystallography ◽  
X Ray Diffraction ◽  
X Ray ◽  
Data Management Software

The Canadian Macromolecular Crystallography Facility (CMCF) at the Canadian Light Source consists of two macromolecular crystallography beamlines for structure determination using x-ray diffraction. The equipment at the CMCF beamlines have undergone or will undergo changes and improvements to better meet the needs of the most challenging experiments users may present. Among these improvements are: 1) Automounter improvements; 2) Better goniometry on 08ID-1 with the addition of a Huber air-bearing goniometer; 3) Added beam size capabilities on 08ID-1 with the addition of a multiple beam defining aperture holder; 4) XAFS capability on 08B1-1; 5) Improved low energy S-SAD data collection with the addition of a Helium path; 6) Improvements to the data collection and data management software; 7) A vacuum path for scattering experiments with detector distances up to 1 m; 8) A comprehensive beamline upgrade project on the 08ID-1 beamline; and 9) Service crystallography services.

scholarly journals CCP4: a resource for macromolecular crystallography

2014 ◽  
Vol 70 (a1) ◽  
pp. C1723-C1723
Author(s):  
Charles Ballard ◽  
Ronan Keegan ◽  
Eugene Krissinel ◽  
Andrey Lebedev ◽  
Ville Uski ◽  
...  
Keyword(s):  
Data Collection ◽  
Protein Crystallography ◽  
Macromolecular Crystallography ◽  
Major Overhaul ◽  
Experimental Phasing ◽  
Expert And Novice ◽  
Novice Users

CCP4 has been serving the software needs of the protein crystallography community for more than 30 years. In this time the CCP4 Suite of software has been refined through contributions from some of the leading developers in the field of protein crystallographic software and the feedback of both expert and novice users. Today it is a highly comprehensive suite, providing tools and packages covering all aspects from data collection through to structure deposition. Here we will present details of the latest release series of the Suite, version 6.4. This release brings updates to many of the key elements in the Suite. The most obvious of these is the integration of the rolling updates mechanism. This is used to distribute timely fixes, update existing programs and introduce new functionality to users of the suite. Recent updates have seen updates to major programs such as phaser and imosflm/mosflm, and the introduction of a major overhaul of the Experimental Phasing pipeline Crank. An overview is given of the operation behind the updates and releases, including the jhbuild system, repositories and testing, the availability of nightly builds, and work towards the next major release of CCP4. This will see the integration of the CCP4MG package, along with preparations for the introduction of the long awaited CCP4i2.

scholarly journals Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II

Molecules ◽  
2019 ◽  
Vol 24 (3) ◽  
pp. 496 ◽  
Author(s):  
Michelle Miller ◽  
Sweta Maheshwari ◽  
Wuxian Shi ◽  
Yuan Gao ◽  
Nam Chu ◽  
...  
Keyword(s):  
Data Collection ◽  
State Of The Art ◽  
Crystallographic Data ◽  
High Flux ◽  
Macromolecular Crystallography ◽  
Vector Data ◽  
Linear Trajectory ◽  
X Ray ◽  
Single Loop ◽  
Collection Strategies

Advances in synchrotron technology are changing the landscape of macromolecular crystallography. The two recently opened beamlines at NSLS-II—AMX and FMX—deliver high-flux microfocus beams that open new possibilities for crystallographic data collection. They are equipped with state-of-the-art experimental stations and automation to allow data collection on previously intractable crystals. Optimized data collection strategies allow users to tailor crystal positioning to optimally distribute the X-ray dose over its volume. Vector data collection allows the user to define a linear trajectory along a well diffracting volume of the crystal and perform rotational data collection while moving along the vector. This is particularly well suited to long, thin crystals. We describe vector data collection of three proteins—Akt1, PI3Kα, and CDP-Chase—to demonstrate its application and utility. For smaller crystals, we describe two methods for multicrystal data collection in a single loop, either manually selecting multiple centers (using H108A-PHM as an example), or “raster-collect”, a more automated approach for a larger number of crystals (using CDP-Chase as an example).

scholarly journals Polyimide mesh-based sample holder with irregular crystal mounting holes for fixed-target serial crystallography

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Ki Hyun Nam ◽  
Jihan Kim ◽  
Yunje Cho
Keyword(s):  
Data Collection ◽  
Room Temperature ◽  
Picosecond Laser ◽  
Temperature Structure ◽  
Sample Holder ◽  
Fixed Target ◽  
Random Orientation ◽  
Physical Damage ◽  
Crystal Sample ◽  
Serial Crystallography

AbstractThe serial crystallography (SX) technique enables the determination of the room-temperature structure of a macromolecule while causing minimal radiation damage, as well as the visualization of the molecular dynamics by time-resolved studies. The fixed-target (FT) scanning approach is one method for SX sample delivery that minimizes sample consumption and minimizes physical damage to crystals during data collection. Settling of the crystals on the sample holder in random orientation is important for complete three dimensional data collection. To increase the random orientation of crystals on the sample holder, we developed a polyimide mesh-based sample holder with irregular crystal mounting holes for FT-SX. The polyimide mesh was fabricated using a picosecond laser. Each hole in the polyimide mesh has irregularly shaped holes because of laser thermal damage, which may cause more crystals to settle at random orientations compared to regular shaped sample holders. A crystal sample was spread onto a polyimide-mesh, and a polyimide film was added to both sides to prevent dehydration. Using this sample holder, FT-SX was performed at synchrotron and determined the room-temperature lysozyme structure at 1.65 Å. The polyimide mesh with irregularly shaped holes will allow for expanded applications in sample delivery for FT-SX experiments.

scholarly journals A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
P. Roedig ◽  
I. Vartiainen ◽  
R. Duman ◽  
S. Panneerselvam ◽  
N. Stübe ◽  
...  
Keyword(s):  
Sample Holder ◽  
Macromolecular Crystallography

Experience and results obtained at the ESRF with high-precision air bearing motion systems

2011 ◽  
Vol 1 (MEDSI-6) ◽  
Author(s):  
P. Marion ◽  
L. Ducotte ◽  
M. Nicola ◽  
H. P. van der Kleij ◽  
L. Eybert ◽  
...  
Keyword(s):  
High Precision ◽  
High Accuracy ◽  
Air Bearing ◽  
Air Bearings ◽  
Positioning Accuracy ◽  
Point Of Interest ◽  
Air Film

In high-accuracy motion stages, the positioning accuracy at the point of interest is strongly influenced by guiding errors: for translation motions, straightness errors and angular errors (pitch, yaw and roll); for rotation motions, axial, radial and tilt errors. When air bearings are used for guiding, the air film averages out local irregularities of bearings surfaces, which helps reduce guiding errors considerably. Some results obtained with air bearing precision systems designed and manufactured by specialized companies and tested at ESRF are described below.

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