6B2Q
Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.065, 227.432, 158.606 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 113.720 - 2.880 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.26300 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
Data reduction software | PROCESS (1.1.7) |
Data scaling software | PROCESS (1.1.7) |
Phasing software | BUSTER (2.11.7) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 158.000 |
High resolution limit [Å] | 2.548 |
Number of reflections | 38607 |
<I/σ(I)> | 15.4 |
Completeness [%] | 89.0 |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3M sodium formate, 0.1 M buffer (ADA, cacodylate, or sodium citrate) pH 6.5 |