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 |
