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 |
