8QCK
Crystal structure of mycothiol disulfide reductase Mtr from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-05 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.91840 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 51.959, 209.563, 241.871 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.370 - 4.700 |
R-factor | 0.2972 |
Rwork | 0.292 |
R-free | 0.33840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8qcj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.826 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.400 | 5.250 |
High resolution limit [Å] | 4.700 | 4.700 |
Rmerge | 0.635 | 1.183 |
Rmeas | 0.695 | 1.292 |
Rpim | 0.278 | 0.514 |
Number of reflections | 7284 | 2015 |
<I/σ(I)> | 3 | 1.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.1 | 6.3 |
CC(1/2) | 0.942 | 0.847 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.02 M magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5 and 22% (w/v) poly-(acrylic acid sodium salt) 5,100, and a protein concentration of 12.5 mg/mL. |