1V40
First Inhibitor Complex Structure of Human Hematopoietic Prostaglandin D Synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL40B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL40B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.288, 49.237, 94.526 |
| Unit cell angles | 93.25, 89.98, 90.01 |
Refinement procedure
| Resolution | 35.050 - 1.900 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iyh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.100 | 35.100 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.063 |
| Number of reflections | 426168 | |
| <I/σ(I)> | 11.4 | 7.5 |
| Completeness [%] | 94.2 | 94.2 |
| Redundancy | 6.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | PEG6000, TRIS-HCL, MAGNESIUM CHLORIDE, GLUTATHIONE, DIOXAN, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
