2ZB8
Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADP and indomethacin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.482, 84.079, 73.318 |
| Unit cell angles | 90.00, 109.48, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| Rwork | 0.171 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zb4 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.770 |
| 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 | 0.044 | 0.471 |
| Number of reflections | 26205 | |
| <I/σ(I)> | 24.7 | 3.3 |
| Completeness [%] | 98.5 | 98.2 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 298 | 0.1M MES, pH 5.9, 2.0M ammonium sulfate, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
