5Y9Z
Crystal structure of rat hematopoietic prostaglandin D synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.540, 79.840, 96.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.300 - 1.090 |
| R-factor | 0.1567 |
| Rwork | 0.155 |
| R-free | 0.17860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pd2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.416 |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.300 | 48.300 | 1.110 |
| High resolution limit [Å] | 1.090 | 5.970 | 1.090 |
| Rmerge | 0.039 | 0.019 | 0.529 |
| Rmeas | 0.042 | 0.020 | 0.568 |
| Rpim | 0.014 | 0.006 | 0.201 |
| Total number of observations | 1351352 | 13409 | 62240 |
| Number of reflections | 175007 | 1234 | 8598 |
| <I/σ(I)> | 12.5 | 45 | 2 |
| Completeness [%] | 99.6 | 99.9 | 99.5 |
| Redundancy | 7.7 | 10.9 | 7.2 |
| CC(1/2) | 1.000 | 1.000 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 8.5 | 293 | 50 mM Tris-HCl, pH 8.5, 35% PEG6000, 5 mM DTT, 5mM GSH, 2 mM Dioxane, 2 mM MgCl2 |
