7C61
Crystal structure of 5-HT1B-BRIL and SRP2070_Fab complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 248.800, 65.700, 79.730 |
| Unit cell angles | 90.00, 98.79, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.000 |
| R-factor | 0.2541 |
| Rwork | 0.252 |
| R-free | 0.28980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iar |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.680 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.500 | 48.500 | 3.180 |
| High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
| Rmerge | 0.483 | 0.107 | 3.257 |
| Rmeas | 0.491 | 0.109 | 3.317 |
| Rpim | 0.090 | 0.021 | 0.617 |
| Total number of observations | 760396 | 28687 | 116234 |
| Number of reflections | 25815 | 1015 | 4119 |
| <I/σ(I)> | 9.2 | 31 | 1.6 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 29.5 | 28.3 | 28.2 |
| CC(1/2) | 0.992 | 0.992 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 30% PEG400, 0.4M SODIUM THIOCYANATE, 0.1M SODIUM ACETATE PH 5.5 |
