A measuring procedure for single-crystal diffraction using synchrotron radiation

1989 ◽  
Vol 22 (4) ◽  
pp. 382-383 ◽  
Author(s):  
M. Wendschuh-Josties ◽  
R. Wulf
Keyword(s):  
Synchrotron Radiation ◽  
Data Collection ◽  
Single Crystal ◽  
Real Time ◽  
Data Reduction ◽  
Single Crystal Diffraction ◽  
Precise Location ◽  
Precise Data ◽  
Measuring Procedure

The use of synchrotron radiation (SR) for single-crystal diffraction measurements requires special features of both the instrumentation and the measuring procedure. This paper describes a new algorithm for data collection developed for synchrotron radiation. It has been used successfully at the five-circle diffractometer at HASYLAB (DESY, Hamburg). The main features are: precise location of the reflection position, determination of the measuring parameters by pre-scanning, subsequent fine scanning, and real-time monitoring of several parameters of the beam conditions for data reduction. This allows fast and precise data collection.

scholarly journals Room-temperature macromolecular serial crystallography using synchrotron radiation

IUCrJ ◽  
2014 ◽  
Vol 1 (4) ◽  
pp. 204-212 ◽  
Author(s):  
Francesco Stellato ◽  
Dominik Oberthür ◽  
Mengning Liang ◽  
Richard Bean ◽  
Cornelius Gati ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Data Collection ◽  
Single Crystal ◽  
Room Temperature ◽  
Structural Model ◽  
Three Dimensional ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Serial Crystallography ◽  
Diffraction Patterns

A new approach for collecting data from many hundreds of thousands of microcrystals using X-ray pulses from a free-electron laser has recently been developed. Referred to as serial crystallography, diffraction patterns are recorded at a constant rate as a suspension of protein crystals flows across the path of an X-ray beam. Events that by chance contain single-crystal diffraction patterns are retained, then indexed and merged to form a three-dimensional set of reflection intensities for structure determination. This approach relies upon several innovations: an intense X-ray beam; a fast detector system; a means to rapidly flow a suspension of crystals across the X-ray beam; and the computational infrastructure to process the large volume of data. Originally conceived for radiation-damage-free measurements with ultrafast X-ray pulses, the same methods can be employed with synchrotron radiation. As in powder diffraction, the averaging of thousands of observations per Bragg peak may improve the ratio of signal to noise of low-dose exposures. Here, it is shown that this paradigm can be implemented for room-temperature data collection using synchrotron radiation and exposure times of less than 3 ms. Using lysozyme microcrystals as a model system, over 40 000 single-crystal diffraction patterns were obtained and merged to produce a structural model that could be refined to 2.1 Å resolution. The resulting electron density is in excellent agreement with that obtained using standard X-ray data collection techniques. With further improvements the method is well suited for even shorter exposures at future and upgraded synchrotron radiation facilities that may deliver beams with 1000 times higher brightness than they currently produce.

scholarly journals Hydrated metal(II) complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding. Corrigendum

2006 ◽  
Vol 62 (1) ◽  
pp. 165-165
Author(s):  
M. Luz Godino Salido ◽  
Paloma Arranz Mascarós ◽  
Rafaél López Garzón ◽  
M. Dolores Gutiérrez Valero ◽  
John N. Low ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Synchrotron Radiation ◽  
Data Collection ◽  
Coordination Polymers ◽  
Data Reduction ◽  
Three Dimensions ◽  
Compound Viii ◽  
Monomeric Complex ◽  
Cell Refinement ◽  
Derivatives Of

Some of the data collection details for compound (VIII) were incorrectly given in Table 1 of Godino Salido et al. (2004). The data for compound VIII in this paper were collected using synchrotron radiation at the Daresbury SRS station 9.8, λ = 0.6935 Å (Cernik et al., 1997; Clegg, 2000). The data were collected using a Bruker SMART 1K CCD diffractometer using ω rotation with narrow frames. The computer program used in the data collection was SMART (Bruker, 2001) and for cell refinement and data reduction SAINT (Bruker, 2001).

A method to stabilize the incident X-ray energy for anomalous diffraction measurements

2017 ◽  
Vol 24 (4) ◽  
pp. 781-786
Author(s):  
Wenjia Wang ◽  
Xiaoyun Yang ◽  
Guangcai Chang ◽  
Pengfei An ◽  
Kewen Cha ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Data Collection ◽  
Absorption Edge ◽  
Feedback Loop ◽  
Inflection Point ◽  
Single Crystal Diffraction ◽  
Double Crystal ◽  
Anomalous Diffraction ◽  
X Ray ◽  
Double Crystal Monochromator

A method to calibrate and stabilize the incident X-ray energy for anomalous diffraction data collection is provided and has been successfully used at the single-crystal diffraction beamline 1W2B at the Beijing Synchrotron Radiation Facilities. Employing a feedback loop to control the movement of the double-crystal monochromator, this new method enables the incident X-ray energy to be kept within a 0.2 eV range at the inflection point of the absorption edge.

scholarly journals New insight into the pectolite – serandite series: a single crystal diffraction study of Na(Ca1.73Mn0.27)[HSi3O9] at 293 and 100 K

2007 ◽  
Vol 222 (12/2007) ◽  
Author(s):  
Alla Arakcheeva ◽  
Philip Pattison ◽  
Nicolas Meisser ◽  
Gervais Chapuis ◽  
Igor V. Pekov ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Single Crystal ◽  
Diffraction Study ◽  
Structural Characterization ◽  
Single Crystal Diffraction ◽  
Insight Into

Using synchrotron radiation, a single crystal investigation has been performed at 293 and 100 K for the structural characterization of the manganoan pectolite, Na(Ca

scholarly journals Synthese und Strukturanalyse des gemischten Alkalimetallorthonitrats Na3K3(NO4)2 / Synthesis and X-Ray Structure Determination of the Mixed Alkali Metal Orthonitrate Na3K3(NO4)2

1991 ◽  
Vol 46 (8) ◽  
pp. 1031-1034 ◽  
Author(s):  
Thomas Bremm ◽  
Martin Jansen
Keyword(s):  
Alkali Metal ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Structure Determination ◽  
Title Compound ◽  
Single Crystal Diffraction ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Mixed Alkali

The title compound has been characterized by X-ray powder and single crystal diffraction: Pbcn; a = 7.296(1), b = 15.997(4), c = 7.016(1) Å; Z = 4; 1514 diffractometer data, R = 0.04, Rw = 0.03. The vibrational spectra are compatible with a tetrahedral geometry of the anion.

Space-Group Determination of the Orthorhombic Form of NaV6O11

1995 ◽  
Vol 28 (5) ◽  
pp. 599-603 ◽  
Author(s):  
Y. Kanke ◽  
H. Shigematsu ◽  
K. Ohshima ◽  
K. Kato
Keyword(s):  
Phase Transition ◽  
Low Temperature ◽  
Single Crystal ◽  
Diffraction Study ◽  
Structural Phase ◽  
Unit Cell ◽  
Single Crystal Diffraction ◽  
Space Group ◽  
X Ray

The unit cell and space group of orthorhombic NaV6O11 (low-temperature form) are found by an X-ray single-crystal diffraction study at 300 K (hexagonal, P63/mmc), 100 K (hexagonal, P63 mc) and 20 K (orthorhombic). The orthorhombic form (o) shows no superstructure and its unit cell is related to the hexagonal one (h): a o ≃ a h + b h , a o ≃ −a h + b h and c o ≃ c h . Bijvoet-pair examination confirms that it crystallizes in the noncentrosymmetric space group Cmc21. The hexagonal (P63 mc)-orthorhombic (Cmc21) structural phase transition is proved to be of second order.

Single-crystal x-ray diffraction from an icosahedral quasicrystal

1987 ◽  
Vol 2 (3) ◽  
pp. 294-297 ◽  
Author(s):  
A. R. Kortan ◽  
H. S. Chen ◽  
J. V. Waszczak
Keyword(s):  
Single Crystal ◽  
Real Time ◽  
Symmetry Axis ◽  
Icosahedral Quasicrystal ◽  
X Ray Diffraction ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Cu Alloy ◽  
Real Time Transmission

Single-crystal x-ray diffraction measurements made on a millimeter-size single icosahedral quasicrystal of an Al–Li–Cu alloy are reported. The point symmetries observed directly by real-time transmission Laue x-ray diffraction and the measured angles between the major symmetry axis are consistent with an icosahedral quasicrystal, and the peaks observed in the single-crystal diffraction scans are found to be indexable with six indices that belong to a primitive icosahedral Bravais quasilattice.

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