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 |