2WZT
Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-10-01 |
Detector | RIGAKE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.543, 103.677, 112.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.17005 |
Rwork | 0.168 |
R-free | 0.20941 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vbj |
RMSD bond length | 0.015 |
RMSD bond angle | 1.348 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.300 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.070 | 0.330 |
Number of reflections | 40896 | |
<I/σ(I)> | 9.3 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.1 | 20% PEG 0.2M CACL2 0.1M NA CACODYLATE PH 5.1 |