4OOE
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203Y mutant bound to fosmidomycin and NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2013-01-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.284 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 112.270, 114.240, 133.187 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.827 - 1.826 |
R-factor | 0.1703 |
Rwork | 0.170 |
R-free | 0.21070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a03 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.153 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.712 | 1.930 |
High resolution limit [Å] | 1.826 | 1.826 |
Rmerge | 0.061 | 0.247 |
Number of reflections | 145456 | |
<I/σ(I)> | 16 | 3.8 |
Completeness [%] | 96.1 | 86.1 |
Redundancy | 3.1 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 6% PEG4000, 50 mM MES, 20% MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |