2Y1F
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, manganese and NADPH.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-06-07 |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.439, 65.019, 86.169 |
| Unit cell angles | 90.00, 102.05, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.960 |
| R-factor | 0.17393 |
| Rwork | 0.172 |
| R-free | 0.20986 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2JCZ |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.162 |
| 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 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.090 | 0.410 |
| Number of reflections | 51333 | |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 97.7 | 88.9 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
