4OR2
Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0330 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.361, 86.552, 168.277 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.680 - 2.800 |
| R-factor | 0.2291 |
| Rwork | 0.227 |
| R-free | 0.26770 |
| Structure solution method | SAD |
| Starting model (for MR) | Experimental Phasing by using Ta6Br12 soak |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.132 | 1.000 |
| Number of reflections | 24533 | |
| <I/σ(I)> | 13.3 | 1.3 |
| Completeness [%] | 98.7 | 96.1 |
| Redundancy | 6.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Lipidic Cubic Phase (LCP) | 7 | 293 | 100mM HEPES (pH 7.0), 27-30% (v/v) PEG 400, 80-120mM (NH4)2HPO4, 4-8mM TCEP, Lipidic Cubic Phase (LCP), temperature 293K |
