5KW2
The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-02 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.654, 55.950, 80.313 |
| Unit cell angles | 90.00, 93.77, 90.00 |
Refinement procedure
| Resolution | 19.810 - 2.760 |
| R-factor | 0.2326 |
| Rwork | 0.230 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4phu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.952 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.810 | 2.910 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Number of reflections | 16090 | |
| <I/σ(I)> | 5.9 | 1.2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 298 | 0.1 M Tris HCl, pH 8.5, 30% PEG 400, 0.2 M ammonium formate. |
