4RCV
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase bound to 1-deoxy-L-erythrulose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2012-08-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1271 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.370, 64.378, 85.741 |
Unit cell angles | 90.00, 101.73, 90.00 |
Refinement procedure
Resolution | 35.161 - 2.294 |
R-factor | 0.1758 |
Rwork | 0.173 |
R-free | 0.23170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a03 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.151 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.950 | 2.340 |
High resolution limit [Å] | 2.294 | 2.294 |
Rmerge | 0.097 | 0.470 |
Number of reflections | 32321 | |
<I/σ(I)> | 7.6 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 25% PEG3500, 25 mM sodium acetate, 25 mM Bis-Tris, 1% Tacsimate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |