7F83
Crystal Structure of a receptor in Complex with inverse agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.710, 58.680, 119.240 |
| Unit cell angles | 90.00, 90.60, 90.00 |
Refinement procedure
| Resolution | 39.780 - 2.940 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ko5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.031 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.780 | 3.120 |
| High resolution limit [Å] | 2.940 | 2.940 |
| Rmerge | 0.664 | 5.083 |
| Number of reflections | 25315 | |
| <I/σ(I)> | 10.37 | 1.31 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 24.53 | 23.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7 | 293.15 | 100mM HEPES, pH 7.0, 25%-36% PEG300, 80mM - 150mM NH4F |
