8TBA
Crystal structure of Helicobacter pylori glutamate racemase bound to D-glutamate and a crystallographic artifact
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | .9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.350, 79.868, 114.887 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.580 - 1.650 |
R-factor | 0.1883 |
Rwork | 0.187 |
R-free | 0.21310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.865 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.870 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.050 | 1.049 |
Rmeas | 0.053 | 1.103 |
Rpim | 0.017 | 0.335 |
Total number of observations | 708160 | 35758 |
Number of reflections | 70675 | 3437 |
<I/σ(I)> | 21.7 | 2.2 |
Completeness [%] | 99.8 | |
Redundancy | 10 | 10.4 |
CC(1/2) | 0.999 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 10g/l Glutamate Racemase in crystal buffer (0.2M Ammonium Acetate, 5mM D/L-glutamate, 1mM TCEP, pH 7.4) with 10% DMSO and 2.5mM compound (incubated in fridge for 1 week) combined 2:1 with INDEX G4 (25% PEG3350, 0.2M LiSO4, 0.1M Tris Base) pH 7.6 |