6TPJ
Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution
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 | 2017-06-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96861 |
Spacegroup name | P 1 |
Unit cell lengths | 55.325, 76.247, 82.737 |
Unit cell angles | 89.99, 85.25, 89.97 |
Refinement procedure
Resolution | 47.695 - 2.740 |
R-factor | 0.2092 |
Rwork | 0.207 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wqc |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.695 | 2.974 |
High resolution limit [Å] | 2.740 | 2.760 |
Number of reflections | 23784 | 1189 |
<I/σ(I)> | 2.5 | |
Completeness [%] | 86.3 | |
Redundancy | 1.6 | |
CC(1/2) | 0.984 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 100 mM N-(2-Acetamido)iminodiacetic acid (ADA) 150-300 mM ammonium nitrate 28-43 % (v/v) polyethylene glycol 400 |