5XMB
Mycobacterium tuberculosis Pantothenate kinase mutant F247A
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 | 2015-02-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.953725 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.829, 104.719, 145.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.960 - 3.200 |
| R-factor | 0.29497 |
| Rwork | 0.291 |
| R-free | 0.35941 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2geu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.221 |
| 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] | 84.960 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.249 | 0.537 |
| Number of reflections | 20268 | 2961 |
| <I/σ(I)> | 4.4 | 2.9 |
| Completeness [%] | 89.2 | 93.9 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.5 | 295 | 25%PEG 3350, 200mM Ammonium sulphate, 100mM Bis-Tris |
