3ORP
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 5)
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 | 2003-06-01 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.185, 52.164, 155.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.100 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mru |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.607 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.042 | 0.163 |
| Number of reflections | 16500 | |
| <I/σ(I)> | 24.2 | 3.2 |
| Completeness [%] | 90.3 | 60.3 |
| Redundancy | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 277 | 1M Sodium citrate, 100mM Tris pH 7.0, 200mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
