5W1Q
Crystal structure of alternate isoform of glutamate racemase from Helicobacter pylori bound to D-glutamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2016-06-04 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.001374 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 61.878, 85.555, 105.989 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.878 - 1.950 |
R-factor | 0.1714 |
Rwork | 0.168 |
R-free | 0.22750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jfy |
RMSD bond length | 0.013 |
RMSD bond angle | 1.109 |
Data reduction software | XDS (VERSION May 1, 2016) |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.880 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.187 | 1.108 |
Rmeas | 0.224 | 1.335 |
Rpim | 0.122 | 0.734 |
Number of reflections | 41793 | 6006 |
<I/σ(I)> | 10.3 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.3 | 6.3 |
CC(1/2) | 0.991 | 0.572 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 100 mM Tris, pH 7.5-8.5, 200 mM ammonium acetate, 20-25% PEG3350, 20% glycerol |