6RZ4
Crystal structure of cysteinyl leukotriene receptor 1 in complex with pranlukast
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.630, 45.350, 86.430 |
| Unit cell angles | 90.00, 91.47, 90.00 |
Refinement procedure
| Resolution | 29.300 - 2.700 |
| R-factor | 0.229 |
| Rwork | 0.228 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xnw 4eiy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS (20161101) |
| Data scaling software | XSCALE (20161101) |
| Phasing software | PHASER (1.12-2829) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.269 | 0.871 |
| Number of reflections | 12749 | 1278 |
| <I/σ(I)> | 7 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 8 |
| CC(1/2) | 0.994 | 0.642 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293 | 100 mM sodium citrate pH 6 200-600 mM lithium nitrate 30-38% v/v PEG400 |
