6D27
Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.175, 62.636, 272.215 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.738 |
R-factor | 0.2442 |
Rwork | 0.242 |
R-free | 0.27950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6d26 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.609 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.300 | 2.700 |
Rmerge | 0.166 | 0.068 | 0.628 |
Rmeas | 0.182 | 0.077 | 0.708 |
Rpim | 0.071 | 0.034 | 0.314 |
Number of reflections | 22351 | 1209 | 865 |
<I/σ(I)> | 5.6 | ||
Completeness [%] | 92.6 | 89.5 | 74.1 |
Redundancy | 5.5 | 4.7 | 3.6 |
CC(1/2) | 0.995 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.5 | 289 | 30% PEG300, 100 mM MES, pH 6.5, 100 mM ammonium sulfate, 2% P400 |