7Q6N
Structure of WrbA from Salmonella Typhimurium bound to ME0052
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.160, 92.810, 93.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.980 - 2.330 |
R-factor | 0.1667 |
Rwork | 0.165 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r96 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.504 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.980 | 2.400 |
High resolution limit [Å] | 2.330 | 2.340 |
Rmeas | 0.147 | 0.779 |
Rpim | 0.040 | 0.208 |
Number of reflections | 66323 | 2525 |
<I/σ(I)> | 17 | 3.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.3 | |
CC(1/2) | 0.992 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 8 % (v/v) Tacsimate pH 8, 20 % (w/v) polyethylene glycol 3350 |