7E4J
X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97951 |
Spacegroup name | P 41 |
Unit cell lengths | 34.660, 34.660, 162.227 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.560 - 1.630 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21794 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.011 |
RMSD bond angle | 1.568 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.560 | 1.663 |
High resolution limit [Å] | 1.630 | 1.635 |
Rmerge | 0.067 | 0.723 |
Number of reflections | 23505 | 1174 |
<I/σ(I)> | 12.6 | 2 |
Completeness [%] | 99.9 | |
Redundancy | 7 | 6.3 |
CC(1/2) | 0.999 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.3 | 295 | 0.2 M Ammonium Chloride:NaOH pH 6.3, 20% (w/v) PEG3350 |