8EB3
Crystal structure of glutamate racemase from Helicobacter pylori in complex with a fragment
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 | 2021-12-01 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0721 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.002, 95.985, 57.074 |
Unit cell angles | 90.00, 112.97, 90.00 |
Refinement procedure
Resolution | 47.990 - 2.200 |
R-factor | 0.2163 |
Rwork | 0.214 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w1q |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.990 | 47.990 | 2.270 |
High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
Rmerge | 0.059 | 0.032 | 0.233 |
Rmeas | 0.070 | 0.037 | 0.289 |
Rpim | 0.037 | 0.020 | 0.168 |
Total number of observations | 85935 | 1331 | 5719 |
Number of reflections | 26023 | 381 | 2105 |
<I/σ(I)> | 12.4 | 20.4 | 4.7 |
Completeness [%] | 97.4 | 94.1 | 92.1 |
Redundancy | 3.3 | 3.5 | 2.7 |
CC(1/2) | 0.996 | 0.997 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | 0.075 mM Tris pH pH 8.47, 150 mM MgCl2 |