2VCX
Complex structure of prostaglandin D2 synthase at 2.1A.
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 | 123.813, 123.813, 106.297 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pd2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.370 |
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] | 88.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.100 |
Number of reflections | 46651 | |
<I/σ(I)> | 7.6 | 1.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.2 | 3.2 |
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 |