7P2L
thermostabilised 7TM domain of human mGlu5 receptor bound to photoswitchable ligand alloswitch-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 141.690, 43.400, 82.120 |
Unit cell angles | 90.00, 99.38, 90.00 |
Refinement procedure
Resolution | 49.110 - 2.540 |
R-factor | 0.2298 |
Rwork | 0.227 |
R-free | 0.28530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oo9 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.306 |
Data reduction software | XDS (VERSION Jan 31, 2020 BUILT=20200417) |
Data scaling software | XSCALE (VERSION Jan 31, 2020 BUILT=20200417) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.110 | 2.610 |
High resolution limit [Å] | 2.540 | 2.540 |
Rmeas | 0.253 | 2.685 |
Number of reflections | 16595 | 1184 |
<I/σ(I)> | 6.35 | |
Completeness [%] | 100.0 | 99 |
Redundancy | 10.66 | 9.3 |
CC(1/2) | 0.997 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 295 | 0.15-0.25 M ammonium phosphate dibasic, 22-24 % polyethylene glycol 400, either with 0.10 M 2-(N-morpholino)ethanesulfonic acid (MES) pH 6.7-6.8 or 0.1 M HEPES pH 6.8 |