3ORO
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 4)
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 |
| Wavelength(s) | 1.107 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.598, 51.423, 135.327 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.460 - 1.900 |
| R-factor | 0.19474 |
| Rwork | 0.193 |
| R-free | 0.22758 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mru |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.518 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.055 | 0.213 |
| Number of reflections | 21540 | |
| <I/σ(I)> | 13.5 | 5.2 |
| Completeness [%] | 98.6 | 94.8 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 1M Sodium Citrate, 100mM CHES pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
