2Y1E
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-08-16 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.487, 64.754, 86.005 |
| Unit cell angles | 90.00, 101.97, 90.00 |
Refinement procedure
| Resolution | 44.000 - 1.650 |
| R-factor | 0.18704 |
| Rwork | 0.186 |
| R-free | 0.21269 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2JCZ |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.006 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.070 | 0.390 |
| Number of reflections | 84235 | |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 96.5 | 80.1 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
