6RZ5
XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2016-08-21 |
Detector | CS-PAD CXI-1 |
Wavelength(s) | 1.302 |
Spacegroup name | P 1 |
Unit cell lengths | 41.590, 68.580, 87.390 |
Unit cell angles | 76.31, 76.68, 81.21 |
Refinement procedure
Resolution | 19.840 - 2.530 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rz4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | CrystFEL (0.6.3+23ea03c7) |
Data scaling software | CrystFEL (0.6.3+23ea03c7) |
Phasing software | PHASER (1.12-2829) |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.620 |
High resolution limit [Å] | 2.530 | 2.530 |
Number of reflections | 30258 | 2988 |
<I/σ(I)> | 3.2 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 82.7 | 43.2 |
CC(1/2) | 0.980 | 0.200 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7 | 293 | 75-175 mM sodium phosphate 24-34% v/v PEG400 100 mM HEPES pH 7.0 1 uM zafirlukast |