5ZHP
M3 muscarinic acetylcholine receptor in complex with a selective antagonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-05 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 122.110, 53.050, 124.720 |
Unit cell angles | 90.00, 98.70, 90.00 |
Refinement procedure
Resolution | 19.984 - 3.100 |
R-factor | 0.232 |
Rwork | 0.229 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u15 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.470 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.200 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 29106 | 2511 |
<I/σ(I)> | 6.63 | 1.03 |
Completeness [%] | 99.3 | 96.5 |
Redundancy | 8.4 | |
CC(1/2) | 0.990 | 0.536 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293.15 | 40-43% PEG300, 300-400 mM ammonium citrate, 0.1M tris-HCI, pH7.5, 1mM 6o, |