5HK2
Human sigma-1 receptor bound to 4-IBP
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 | 85.700, 126.800, 110.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.604 - 3.200 |
| R-factor | 0.2225 |
| Rwork | 0.218 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hk1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.613 |
| Data reduction software | HKL-2000 |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.300 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.194 | 0.897 |
| Number of reflections | 19968 | |
| <I/σ(I)> | 5.8 | 1.9 |
| Completeness [%] | 97.1 | 97.8 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.5 | 293 | Reconstituted in 10:1 monoolein: cholesterol mix. Precipitant solution: 30-40% PEG 300, 220-250 mM lithium sulfide, 0.1 M MES pH 6.5 |
