5XKA
Crystal structure of M.tuberculosis PknI kinase domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97854 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.823, 113.533, 118.456 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.294 - 1.599 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.20000 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.119 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.066 | 0.621 |
| Rpim | 0.028 | 0.255 |
| Number of reflections | 157567 | 8158 |
| <I/σ(I)> | 23.3 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.6 | 6.8 |
| CC(1/2) | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 293 | 0.1 M HEPES pH 7.5, 3 M sodium chloride |
