6A94
Crystal structure of 5-HT2AR in complex with zotepine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-17 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 279.180, 42.220, 91.710 |
Unit cell angles | 90.00, 92.16, 90.00 |
Refinement procedure
Resolution | 45.822 - 2.900 |
R-factor | 0.2378 |
Rwork | 0.236 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rh1 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.629 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.822 | 2.860 |
High resolution limit [Å] | 2.700 | 2.710 |
Number of reflections | 30115 | |
<I/σ(I)> | 6.48 | |
Completeness [%] | 86.7 | |
Redundancy | 21.1 | |
CC(1/2) | 0.993 | 0.677 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 100 mM MES, pH 6.0, or HEPES, pH 7.0, 30% (v/v) PEG400, 100 mM Li-chloride, Na-acetate, or 14 other various salts from StockOptions Salt (Hampton Research) |