6TOD
Crystal structure of the Orexin-1 receptor in complex with EMPA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-01-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 57.907, 158.891, 182.354 |
Unit cell angles | 90.00, 95.77, 90.00 |
Refinement procedure
Resolution | 30.620 - 2.110 |
R-factor | 0.189 |
Rwork | 0.188 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6to7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.620 | 2.280 |
High resolution limit [Å] | 2.110 | 2.110 |
Number of reflections | 57581 | 1152 |
<I/σ(I)> | 9.3 | |
Completeness [%] | 61.3 | 5.98 |
Redundancy | 3.3 | 3.6 |
CC(1/2) | 0.893 | 0.010 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.3 | 284 | 0.1M TRISODIUM CITRATE 50mM SODIUM CHLORIDE 50mM LITHIUM SULPHATE 15-34% PEG400 |