3VW7
Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2012-02-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.044, 71.460, 172.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.273 - 2.200 |
| R-factor | 0.2188 |
| Rwork | 0.218 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 3ODU |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.948 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX ((phaser)) |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 5.420 | 2.200 |
| Rmerge | 0.135 | 0.066 | 0.575 |
| Number of reflections | 27181 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 95.6 | 98.6 | 85.7 |
| Redundancy | 4.8 | 5.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 293 | 0.1-0.2M sodium chloride, 100mM sodium phosphate pH 6.0-6.5, 25%-35% PEG 300, Lipidic cubic phase (in meso phase), temperature 293K |
