6FFI
Crystal Structure of mGluR5 in complex with MMPEP at 2.2 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 | 2014-04-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.822, 43.424, 81.976 |
| Unit cell angles | 90.00, 98.93, 90.00 |
Refinement procedure
| Resolution | 19.991 - 2.200 |
| R-factor | 0.2284 |
| Rwork | 0.226 |
| R-free | 0.26930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oo9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.827 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.810 | 30.810 | 2.270 |
| High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
| Rmerge | 0.142 | 0.045 | 1.038 |
| Rmeas | 0.174 | 0.054 | 1.273 |
| Rpim | 0.098 | 0.029 | 0.722 |
| Total number of observations | 60498 | ||
| Number of reflections | 24147 | 331 | 2151 |
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 94.4 | 83.1 | 97.5 |
| Redundancy | 2.5 | 2.7 | 2.6 |
| CC(1/2) | 0.989 | 0.995 | 0.429 |
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 |
