2VCZ
Complex structure of prostaglandin D2 synthase at 1.95A.
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 | 2004-04-18 |
Detector | ADSC CCD |
Spacegroup name | I 41 |
Unit cell lengths | 123.429, 123.429, 106.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.160 - 1.950 |
R-factor | 0.201 |
Rwork | 0.198 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pd2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.283 |
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] | 39.000 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.090 | 0.380 |
Number of reflections | 57930 | |
<I/σ(I)> | 7.8 | 2.3 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.4 | 30% PEG6000, 1% DIOXANE, 5MM DTT, 5MM GSH, 0.05 M TRISHCL PH8.4 |