1O6Y
Catalytic domain of PknB kinase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 114.607, 122.088, 46.975 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.000 - 2.200 |
| R-factor | 0.1927 |
| Rwork | 0.191 |
| R-free | 0.23030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1phk |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.623 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.000 * | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 * | 0.640 * |
| Number of reflections | 17152 | |
| <I/σ(I)> | 6.7 | 1.3 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 8 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 19 * | PROTEIN CRYSTALLIZED FROM 27% PEG 400, 4% 1,3-BUTANEDIOL, 100 MM HEPES, PH 7.5, 30 MM MGCL2 AT 19 DEGREES C |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 3 | 1 | reservoir | 30 (mM) | ||
| 4 | 1 | reservoir | AMP-PCP | 150000 (mM) | |
| 5 | 1 | reservoir | PEG400 | 27 (%) | |
| 6 | 1 | reservoir | 1,3-butanediol | 4 (%) |
