1IYI
Crystal structure of hematopoietic prostaglandin D synthase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.784, 47.263, 183.810 |
| Unit cell angles | 90.00, 97.83, 90.00 |
Refinement procedure
| Resolution | 37.300 * - 1.800 |
| R-factor | 0.188 |
| Rwork | 0.188 |
| R-free | 0.22600 * |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 20.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 * | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.087 * | 0.178 * |
| Total number of observations | 674736 * | |
| Number of reflections | 73022 * | |
| Completeness [%] | 94.4 * | 69.3 |
| Redundancy | 6.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.4 | 293 | used macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 14 (%(w/v)) | |
| 2 | 1 | reservoir | Tris-HCl | 50 (mM) | pH8.4 |
| 3 | 1 | reservoir | GSH | 5 (mM) | |
| 4 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 5 | 1 | reservoir | 2.5 (mM) | or MgCl2 | |
| 6 | 1 | reservoir | dioxane | 1 (%(v/v)) |
