2IYO
Structural characterization of a bacterial 6PDH reveals aspects of specificity, mechanism and mode of inhibition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-02-05 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 60.582, 60.582, 243.128 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.830 - 2.400 |
R-factor | 0.162 |
Rwork | 0.159 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pgd |
RMSD bond length | 0.009 |
RMSD bond angle | 1.155 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.060 | 0.150 |
Number of reflections | 19558 | |
<I/σ(I)> | 13.7 | 6.7 |
Completeness [%] | 96.0 | 75 |
Redundancy | 5.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | 25% PEG 3350, 300MM AMMONIUM ACCETATE, 0.1M SODIUM CACODYLATE, pH 7.20 |