2VD1
Complex structure of prostaglandin D2 synthase at 2.25A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-15 |
| Detector | ADSC CCD |
| Spacegroup name | I 41 |
| Unit cell lengths | 123.521, 123.521, 106.289 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.188 |
| Rwork | 0.184 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pd2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.467 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.000 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.120 | 0.520 |
| Number of reflections | 37285 | |
| <I/σ(I)> | 6.6 | 1.7 |
| Completeness [%] | 98.5 | 97.5 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.4 | PEG 6000 30%, TCEP 5MM, GSH 5MM, DIOXANE 1%, MGCL2 5MM, TRISHCL (PH8.4) 50 MM |
