4RFV
Structure of the Mycobacterium tuberculosis APS kinase CysC Cys556Ala mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-21 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.91842 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.167, 71.158, 118.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.280 - 1.690 |
| R-factor | 0.18619 |
| Rwork | 0.184 |
| R-free | 0.22275 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzp |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.548 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.280 | 59.280 | 1.720 |
| High resolution limit [Å] | 1.690 | 1.720 | 1.690 |
| Rmerge | 0.063 | 0.063 | 0.470 |
| Number of reflections | 32681 | ||
| <I/σ(I)> | 13.9 | 13.9 | 3 |
| Completeness [%] | 99.9 | 99.9 | 99.1 |
| Redundancy | 5.9 | 5.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 21% PEG 3350, 0.2M ammonium nitrate, 5mM magnesium chloride, 5mM ADP, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
