5DHH
The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.300, 168.941, 65.472 |
Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
Resolution | 29.845 - 3.004 |
R-factor | 0.2423 |
Rwork | 0.240 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ea3 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.772 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2142: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.191 | |
Number of reflections | 16552 | |
<I/σ(I)> | 7.27 | 1.19 |
Completeness [%] | 93.2 | 91.8 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.4 | 293 | 25-35% (V/V) PEG400, 130-200 MM POTASSIM SODIUM TARTRATE TETRAHYDRATE, 100 MM BIS-TRIS PROPANE, PH 6.4, LIPIDIC CUBIC PHASE, TEMPERATURE 293K |