3AF3
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GMPPCP and Pantothenate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-05-28 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 103.110, 103.110, 91.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.120 - 2.350 |
| R-factor | 0.21666 |
| Rwork | 0.214 |
| R-free | 0.26286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gev |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.406 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.059 | 0.502 |
| Number of reflections | 23382 | |
| <I/σ(I)> | 21.2 | 3.4 |
| Completeness [%] | 98.7 | 94.6 |
| Redundancy | 9.1 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.4-1.8M trisodium citrate, 0.05-0.1M sodium acetate, 10% glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
