4Y12
Crystal structure of the S/T protein kinase PknG from Mycobacterium tuberculosis in complex with AGS
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 | 2012-02-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.28189 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.452, 37.183, 108.032 |
| Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
| Resolution | 36.900 - 1.900 |
| R-factor | 0.1965 |
| Rwork | 0.196 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y0x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS (2.11.4) |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.370 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.073 | 0.774 |
| Number of reflections | 23248 | |
| <I/σ(I)> | 12.8 | 2.6 |
| Completeness [%] | 98.0 | 96.4 |
| Redundancy | 7.4 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100 mM Hepes, 35% w/v PEG 4000, 200 mM CaCl2, pH 7.5 |
