6DJZ
Human sigma-1 receptor bound to haloperidol
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 | 2016-12-09 |
| Detector | DECTRIS PILATUS3 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 | 40.509 - 3.084 |
| R-factor | 0.241 |
| Rwork | 0.239 |
| R-free | 0.27640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hk1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.489 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.300 |
| High resolution limit [Å] | 3.080 | 3.080 |
| Number of reflections | 22196 | |
| <I/σ(I)> | 5.9 | 0.4 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 5.7 | 5 |
| CC(1/2) | 0.994 | 0.164 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.4 | 293 | Protein was reconstituted in cubic phase by mixing with a 1:1.5 (w:w) protein:lipid ratio. Lipid used was a 10:1 (w:w) mix of monoolein with cholesterol. Crystals were grown in 500 mM lithium sulfate, 42% PEG 300, 1% hexanediol, 100 mM MES pH 6.4 |
