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 |