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 |
