5XLW
Mycobacterium tuberculosis Pantothenate kinase mutant F247A/F254A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 119.330, 119.330, 127.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.550 - 2.260 |
| R-factor | 0.19285 |
| Rwork | 0.191 |
| R-free | 0.22796 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2geu |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.045 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.550 | 2.380 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.082 | 0.498 |
| Number of reflections | 49403 | 7188 |
| <I/σ(I)> | 15.5 | 3.7 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7.5 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 295 | 2% PEG 400, 2.0 M Ammonium sulphate, 100mM HEPES sodium salt |
