3ORM
Mycobacterium tuberculosis PknB kinase domain D76A mutant
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 | 2007-04-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.116 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.458, 51.076, 134.746 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.005 - 2.500 |
| R-factor | 0.2183 |
| Rwork | 0.215 |
| R-free | 0.28840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mru |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 9801 | |
| <I/σ(I)> | 17.68 | 0.324 |
| Completeness [%] | 97.0 | 96.5 |
| Redundancy | 3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 20% PEG 3350, 100mM bis-Tris propane pH 8.5, 200mM NaF, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
