7M94
Bovine sigma-2 receptor bound to Roluperidone
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 | 2019-08-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033167 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.050, 54.161, 99.699 |
| Unit cell angles | 90.00, 91.09, 90.00 |
Refinement procedure
| Resolution | 49.840 - 2.710 |
| R-factor | 0.2167 |
| Rwork | 0.213 |
| R-free | 0.25370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7m93 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.622 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.840 | 2.810 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Number of reflections | 20340 | 3222 |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 6.8 | |
| CC(1/2) | 0.994 | 0.366 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293 | PEG 300, 0.1 M MES pH 6, 500 mM NaCl, 60 mM succinate |
