4OO9
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 200 |
Detector technology | PIXEL |
Collection date | 2013-12-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96861 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.242, 43.555, 82.049 |
Unit cell angles | 90.00, 99.37, 90.00 |
Refinement procedure
Resolution | 29.740 - 2.600 |
R-factor | 0.2409 |
Rwork | 0.239 |
R-free | 0.27470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 3EML 3uon 4daj 4dkl 4djh 3v2y 4ea3 AND 1U19 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.658 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.955 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.116 | 0.754 |
Number of reflections | 14800 | |
<I/σ(I)> | 7.4 | 1.8 |
Completeness [%] | 94.9 | 94.8 |
Redundancy | 2.7 | 2.6 |
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, LIPIDIC CUBIC PHASE, temperature 293.1K |