4Y0X
Crystal structure of the S/T protein kinase PknG from Mycobacterium tuberculosis in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.973 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.920, 37.250, 108.520 |
| Unit cell angles | 90.00, 97.74, 90.00 |
Refinement procedure
| Resolution | 37.610 - 1.740 |
| R-factor | 0.1979 |
| Rwork | 0.197 |
| R-free | 0.20870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pzi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.610 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.067 | 0.794 |
| Total number of observations | 156104 | |
| Number of reflections | 31243 | |
| <I/σ(I)> | 18.4 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5 | 3.7 |
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 |
