3VI5
Human hematopoietic prostaglandin D synthase inhibitor complex structures
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-11-09 |
| Detector | OXFORD PX210 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.277, 48.986, 91.919 |
| Unit cell angles | 95.80, 90.99, 90.14 |
Refinement procedure
| Resolution | 33.860 - 2.000 |
| R-factor | 0.17943 |
| Rwork | 0.176 |
| R-free | 0.24921 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.799 |
| Data reduction software | DENZO |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.160 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 53869 | |
| Completeness [%] | 97.0 | 91.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | PEG 4000, Tris-HCl, DTT, GSH, 1,4-dioxane, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
