2WZM
Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 277 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 32 |
Unit cell lengths | 65.456, 65.456, 96.844 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.700 - 1.640 |
R-factor | 0.18029 |
Rwork | 0.178 |
R-free | 0.22134 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.405 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.800 | 1.710 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.060 | 0.480 |
Number of reflections | 57130 | |
<I/σ(I)> | 7.3 | 1.5 |
Completeness [%] | 97.7 | 85.1 |
Redundancy | 5.6 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.6 | 0.1M TRIS-HCL PH 7.6, 1.85 (NH4)2HPO4 |