6RZ9
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-17 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.630, 170.210, 85.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.805 - 2.730 |
| R-factor | 0.2188 |
| Rwork | 0.217 |
| R-free | 0.25370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rz4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.809 |
| Data reduction software | XDS (20161205) |
| Data scaling software | XSCALE (20180319) |
| Phasing software | PHASER (1.12-2829) |
| Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.830 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmerge | 0.151 | 1.615 |
| Rpim | 0.102 | 1.084 |
| Number of reflections | 13531 | |
| <I/σ(I)> | 4.4 | 0.9 |
| Completeness [%] | 97.0 | 99.1 |
| Redundancy | 2.9 | 3 |
| CC(1/2) | 0.990 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7 | 293 | 210mM NH4 tartrate dibasic 29% PEG400 HEPES 7.0 |
