2Y1G
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted FR900098 analogue and 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 | 2008-11-28 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.525, 65.022, 86.227 |
| Unit cell angles | 90.00, 101.88, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.950 |
| R-factor | 0.1848 |
| Rwork | 0.182 |
| R-free | 0.23293 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2JCZ |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.126 |
| 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] | 45.000 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.120 | 0.460 |
| Number of reflections | 53467 | |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
