7VOD
Crystal structure of 5-HT2AR in complex with cariprazine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 50.270, 55.040, 180.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.420 - 3.300 |
R-factor | 0.2187 |
Rwork | 0.218 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a93 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.877 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829-000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.420 | 3.560 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.273 | 1.250 |
Rmeas | 0.283 | 1.350 |
Rpim | 0.072 | 0.472 |
Number of reflections | 7889 | 1449 |
<I/σ(I)> | 8.1 | 1.5 |
Completeness [%] | 97.8 | 89.6 |
Redundancy | 14.2 | 6.8 |
CC(1/2) | 0.999 | 0.396 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293.15 | 100 mM Tris/HCl, 100 mM Potassium formate, 30% PEG |