3VI7
Human hematopoietic prostaglandin D synthase inhibitor complex structures
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.043, 47.359, 184.941 |
| Unit cell angles | 90.00, 97.41, 90.00 |
Refinement procedure
| Resolution | 45.850 - 2.000 |
| R-factor | 0.1771 |
| Rwork | 0.174 |
| R-free | 0.23340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.891 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 56268 | |
| Completeness [%] | 98.1 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | PEG6000, Tris-HCl, CaCl2, GSH, DTT, 1,4-dioxane,, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
