7F1T
Crystal structure of the human chemokine receptor CCR5 in complex with MIP-1a
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 | 2018-06-29 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 49.133, 204.356, 69.012 |
| Unit cell angles | 90.00, 105.53, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| Rwork | 0.228 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mbs |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.709 |
| Data reduction software | HKL-2000 (v717) |
| Data scaling software | HKL-2000 (v717) |
| Phasing software | PHASER (1.19.2) |
| Refinement software | BUSTER (v.2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 18209 | 888 |
| <I/σ(I)> | 31.7 | |
| Completeness [%] | 94.9 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.985 | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 100mM HEPES, pH 6.0, 250mM ammonium sulfate, 30% (v/v) PEG 400, 8% (v/v) PPG 400 |
