5HK1
Human sigma-1 receptor bound to PD144418
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] | 80 |
Detector technology | PIXEL |
Collection date | 2014-10-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.556, 126.062, 109.702 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.505 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.23260 |
Structure solution method | SIRAS |
RMSD bond length | 0.002 |
RMSD bond angle | 0.586 |
Data reduction software | XDS |
Phasing software | SHARP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 41033 | |
<I/σ(I)> | 10.1 | 0.9 |
Completeness [%] | 98.8 | 97.7 |
Redundancy | 3.46 | 3.38 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.5 | 293 | Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 40-50% PEG 300, 220-250 mM lithium sulfoxide, 0.1 M MES pH 6.5. |