5TZR
GPR40 in complex with 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 | 2015-03-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.620, 62.600, 106.150 |
| Unit cell angles | 90.00, 108.93, 90.00 |
Refinement procedure
| Resolution | 28.170 - 2.200 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.22800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4phu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 (705) |
| Data scaling software | HKL-2000 (705) |
| Phasing software | REFMAC (5.8.0123) |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.200 | 2.100 |
| Rmerge | 0.507 | |
| Number of reflections | 30519 | |
| Completeness [%] | 48.2 | |
| Redundancy | 2.9 | |
| CC(1/2) | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7.7 | 293 | 25-28%PEG 400, 0.2M sodium malonate, 0.1M Tris pH7.7 |
