2JCX
X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin and NADPH
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 | 2006-03-18 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.614, 65.323, 86.179 |
Unit cell angles | 90.00, 101.89, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c82 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.266 |
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] | 30.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | 0.200 |
Number of reflections | 42772 | |
<I/σ(I)> | 16.7 | |
Completeness [%] | 99.3 | 96.2 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |