5M09
Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136N double mutant
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 | 2015-10-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 110.870, 110.870, 181.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.940 - 2.980 |
| R-factor | 0.1922 |
| Rwork | 0.190 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m07 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.940 | 3.160 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.068 | 0.406 |
| Number of reflections | 23530 | |
| <I/σ(I)> | 10.5 | 2 |
| Completeness [%] | 98.9 | 99.7 |
| Redundancy | 5.5 | 5.5 |
| CC(1/2) | 0.998 | 0.945 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 4.3 M NaCl, 0.1 M Hepes-Na pH 7.5 |
