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 |