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 |