5M07
Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 108.304, 108.304, 185.471 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.140 - 2.500 |
| R-factor | 0.2098 |
| Rwork | 0.208 |
| R-free | 0.23510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m06 |
| 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] | 48.440 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.051 | 1.836 |
| Number of reflections | 38990 | |
| <I/σ(I)> | 29.2 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.7 | 13 |
| CC(1/2) | 1.000 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 3.5 M NaCl, 0.08 M Hepes-Na pH 8.5 |
