6IGL
Crystal Structure of human ETB receptor in complex with IRL1620
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 | 2016-07-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.980, 303.860, 60.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.162 - 2.700 |
| R-factor | 0.2083 |
| Rwork | 0.207 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5glh |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.162 | 47.169 | 2.796 |
| High resolution limit [Å] | 2.700 | 5.814 | 2.700 |
| Rmerge | 0.486 | 0.121 | 5.682 |
| Total number of observations | 554802 | ||
| Number of reflections | 25797 | 2754 | 2537 |
| <I/σ(I)> | 9.04695445316 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 21.5064542389 | 21.0893246187 | 21.5273945605 |
| CC(1/2) | 0.981 | 0.994 | 0.382 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5 | 293 | PEG 500DME, (NH4)2SO4 or NH4Cl |
