2WU8
Structural studies of phosphoglucose isomerase from Mycobacterium tuberculosis H37Rv
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-04 |
Detector | ADSC CCD |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 109.700, 118.500, 137.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.625 - 2.250 |
R-factor | 0.183 |
Rwork | 0.182 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iat |
RMSD bond length | 0.007 |
RMSD bond angle | 1.127 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.080 | |
Number of reflections | 42594 | |
<I/σ(I)> | 17.52 | 2.14 |
Completeness [%] | 99.4 | 92.8 |
Redundancy | 7.2 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | pH 8.5 |