3ORK
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 2)
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 | 2004-10-01 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.341, 51.603, 155.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.14291 |
| Rwork | 0.141 |
| R-free | 0.18037 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mru |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.488 |
| 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] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.034 | 0.315 |
| Number of reflections | 41724 | |
| <I/σ(I)> | 18.2 | 3.4 |
| Completeness [%] | 97.9 | 88.2 |
| Redundancy | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 277 | 27% PEG 3350, 100mM Tris pH 8.5, 200mM (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
