5XLV
Mycobacterium tuberculosis Pantothenate kinase mutant 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 | 2013-12-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 120.820, 120.820, 125.480 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.580 - 1.800 |
| R-factor | 0.17928 |
| Rwork | 0.178 |
| R-free | 0.21259 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2geu |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.052 |
| 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] | 24.580 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.103 | 0.993 |
| Number of reflections | 97939 | 14187 |
| <I/σ(I)> | 13.4 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 295 | 10-15% PEG 400, 1.25M Ammonium sulphate, 100mM HEPES sodium salt |
