5AIS
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-13 |
| Detector | ADSC CCD |
| Spacegroup name | I 41 |
| Unit cell lengths | 124.802, 124.802, 106.884 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.470 - 1.850 |
| R-factor | 0.23261 |
| Rwork | 0.231 |
| R-free | 0.25453 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.814 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.470 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.190 | 1.440 |
| Number of reflections | 69399 | |
| <I/σ(I)> | 6.4 | 2.1 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
