2Y1C
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 ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-03-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.826, 67.477, 84.621 |
| Unit cell angles | 90.00, 107.48, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.19762 |
| Rwork | 0.195 |
| R-free | 0.24220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jd2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.124 |
| 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] | 40.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.450 |
| Number of reflections | 58370 | |
| <I/σ(I)> | 16.2 | |
| Completeness [%] | 98.5 | 97.8 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
