3ORL
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 3)
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 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.8927 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.191, 50.633, 132.762 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.21379 |
| Rwork | 0.211 |
| R-free | 0.27658 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mru |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.087 | 0.406 |
| Number of reflections | 6052 | |
| <I/σ(I)> | 11.1 | 3.1 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 25% PEG 3350, 100mM Tris pH 8.5, 200mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
