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 |