4AIC
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin, manganese and NADPH
Replaces: 2JCZExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-04-22 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.284, 65.256, 86.041 |
| Unit cell angles | 90.00, 101.81, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.050 |
| R-factor | 0.17376 |
| Rwork | 0.171 |
| R-free | 0.21716 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c82 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.145 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0060) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.130 | 0.510 |
| Number of reflections | 45559 | |
| <I/σ(I)> | 9.8 | 3 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
