2Y1D
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-04-13 |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.622, 67.318, 84.301 |
| Unit cell angles | 90.00, 107.38, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.050 |
| R-factor | 0.21194 |
| Rwork | 0.209 |
| R-free | 0.26146 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jd2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.050 |
| 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 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.060 | 0.430 |
| Number of reflections | 46664 | |
| <I/σ(I)> | 18.8 | |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
