4Z35
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.610, 112.400, 155.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.900 |
R-factor | 0.2657 |
Rwork | 0.265 |
R-free | 0.27910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ids 3V2Y and 4EIY |
RMSD bond length | 0.009 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 3.100 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.140 | 0.490 |
Number of reflections | 11627 | |
<I/σ(I)> | 4 | 1 |
Completeness [%] | 78.0 | 62 |
Redundancy | 2.6 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5.5 | 293 | 0.1 M sodium citrate (pH 5.5), 34 - 38% (v/v) PEG400 and 200 mM ammonium acetate |
1 | LIPIDIC CUBIC PHASE | 5.5 | 293 | 0.1 M sodium citrate (pH 5.5), 34 - 38% (v/v) PEG400 and 200 mM ammonium acetate |