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 |
