3OXH
Mycobacterium tuberculosis kinase inhibitor homolog RV0577
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-09 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.597, 81.981, 36.037 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.750 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.21200 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.350 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.073 | 0.560 |
Number of reflections | 25186 | |
<I/σ(I)> | 23.125 | 2.04 |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 7 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 291 | 1.1M NACITRATE, 4% BUTANOL, MES, PH 6.75, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 291 | 1.1M NACITRATE, 4% BUTANOL, MES, PH 6.75, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |