6FFH
Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.217, 43.478, 82.383 |
| Unit cell angles | 90.00, 99.22, 90.00 |
Refinement procedure
| Resolution | 34.496 - 2.650 |
| R-factor | 0.2447 |
| Rwork | 0.243 |
| R-free | 0.26690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oo9 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.443 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.500 | 34.500 | 2.780 |
| High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
| Rmerge | 0.156 | 0.046 | 0.893 |
| Rmeas | 0.187 | 0.054 | 1.073 |
| Rpim | 0.101 | 0.027 | 0.582 |
| Total number of observations | 36238 | ||
| Number of reflections | 13189 | 352 | 1812 |
| <I/σ(I)> | 6.6 | ||
| Completeness [%] | 88.8 | 79.5 | 92 |
| Redundancy | 2.7 | 2.9 | 2.7 |
| CC(1/2) | 0.986 | 0.997 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.8 | 293.1 | 24-34% V/V PEG400, 0.2 M AMMONIUM PHOSPHATE DIBASIC, 0.1 M MES, PH 6.8 |
