3WO5
Crystal structure of S147Q of Rv2613c from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-03-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.015, 63.550, 79.025 |
| Unit cell angles | 90.00, 111.01, 90.00 |
Refinement procedure
| Resolution | 31.775 - 2.790 |
| R-factor | 0.1782 |
| Rwork | 0.175 |
| R-free | 0.23480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ano |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.885 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmerge | 0.074 | 0.190 |
| Number of reflections | 11269 | |
| <I/σ(I)> | 21.3 | |
| Completeness [%] | 96.1 | 87.4 |
| Redundancy | 7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 0.1M sodium cacodylate, 0.2M lithium sulfate, 28.5% polyethylene glycol 400, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
