2VVQ
Crystal structure of Mycobacterium tuberculosis ribose-5-phosphate isomerase B in complex with the inhibitor 5-deoxy-5-phospho-D- ribonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2005-02-14 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.369, 102.119, 69.604 |
Unit cell angles | 90.00, 96.18, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1usl |
RMSD bond length | 0.013 |
RMSD bond angle | 1.408 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC (5) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.650 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.090 | 0.390 |
Number of reflections | 62962 | |
<I/σ(I)> | 9.7 | 3 |
Completeness [%] | 98.5 | 97.7 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 15% PEG 8000,0.1 M MES PH6, 5% PEG 1000, 0.2 M LISO4 |