5V54
Crystal structure of 5-HT1B receptor in complex with methiothepin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 235.200, 48.830, 139.220 |
Unit cell angles | 90.00, 124.07, 90.00 |
Refinement procedure
Resolution | 45.506 - 3.900 |
R-factor | 0.2728 |
Rwork | 0.272 |
R-free | 0.28810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.097 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 45.500 |
High resolution limit [Å] | 3.800 |
Number of reflections | 12888 |
<I/σ(I)> | 4.37 |
Completeness [%] | 95.9 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 100mM Bis-Tris (pH7.0), 155mM Ammonium phosphate monobasic, 26% PEG300, 0.01M GSH (L-Glutathione reduced), GSSG (L-Glutathione oxidized) |