4PY0
Crystal structure of P2Y12 receptor in complex with 2MeSATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.650, 65.110, 100.740 |
| Unit cell angles | 90.00, 95.50, 90.00 |
Refinement procedure
| Resolution | 28.810 - 3.100 |
| R-factor | 0.2239 |
| Rwork | 0.222 |
| R-free | 0.26520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4PXZ and 1M6T |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.222 | 0.922 |
| Number of reflections | 8273 | |
| <I/σ(I)> | 5.6 | 2.2 |
| Completeness [%] | 92.2 | 91.2 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Lipidic cubic phase (LCP) | 6 | 293 | 35-40% PEG 400, 0.15-0.20M ammonium tartrate, 4% v/v MPD, 0.1M sodium citrate, pH 6.0, Lipidic cubic phase (LCP), temperature 293.0K |
