6ZTC
CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-04-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.071, 68.163, 68.517 |
| Unit cell angles | 90.00, 96.70, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.840 |
| R-factor | 0.1669 |
| Rwork | 0.164 |
| R-free | 0.22670 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | Coordinates determined in-house |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.402 |
| Data reduction software | TRUNCATE (6.1) |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 21.054 | 21.054 | 1.940 |
| High resolution limit [Å] | 1.840 | 5.820 | 1.840 |
| Rmerge | 0.032 | 0.485 | |
| Rmeas | 0.071 | 0.038 | 0.570 |
| Rpim | 0.037 | 0.020 | 0.297 |
| Total number of observations | 4494 | 18705 | |
| Number of reflections | 37894 | 1252 | 5323 |
| <I/σ(I)> | 13.3 | 33 | 2.5 |
| Completeness [%] | 97.4 | 97.1 | 94.5 |
| Redundancy | 3.6 | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 293 | PEG6000, dioxane, TRIS-HCl, glycerol. |
