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 |