3AF2
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with AMPPCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-28 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 103.270, 103.270, 91.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.980 - 2.300 |
| R-factor | 0.2249 |
| Rwork | 0.223 |
| R-free | 0.26579 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gev |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.518 |
| 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 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.062 | 0.507 |
| Number of reflections | 25402 | |
| <I/σ(I)> | 14.9 | 2.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.5 | 5.2 |
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 |
