5TZY
GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.880, 63.950, 90.960 |
| Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
| Resolution | 90.960 - 3.220 |
| R-factor | 0.27 |
| Rwork | 0.269 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tzr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS (September 26, 2012) |
| Data scaling software | autoPROC (1.3.0) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.960 | 3.234 |
| High resolution limit [Å] | 3.220 | 3.218 |
| Number of reflections | 9669 | |
| Completeness [%] | 84.8 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.5 | 293 | 22% PEG 400, 0.37M potassium nitrate, 0.1M MES pH6.5 |
