2ZB3
Crystal structure of mouse 15-ketoprostaglandin delta-13-reductase in complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 85.829, 85.829, 100.906 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.213 |
| Rwork | 0.209 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v3v |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | 0.969 |
| Number of reflections | 24685 | |
| <I/σ(I)> | 19.4 | 2.1 |
| Completeness [%] | 94.4 | 96.1 |
| Redundancy | 7.3 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M cacodylate, pH6.5, 27% PEG 8000, 80mM Mg(OAc)2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
