5M08
Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136A 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 | 109.310, 109.310, 184.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.880 - 3.030 |
| R-factor | 0.1849 |
| Rwork | 0.184 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m07 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| 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] | 48.880 | 3.210 |
| High resolution limit [Å] | 3.030 | 3.030 |
| Rmerge | 0.061 | 0.444 |
| Number of reflections | 22374 | |
| <I/σ(I)> | 9.7 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.4 | 5.4 |
| CC(1/2) | 0.999 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | NaCl 4.3 M, 0.1 M Hepes-Na pH 7.5 |
