4U14
Structure of the M3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with disulfide-stabilized T4 lysozyme (dsT4L)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2013-06-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 54.952, 54.952, 348.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.620 - 3.570 |
R-factor | 0.2751 |
Rwork | 0.272 |
R-free | 0.32530 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.561 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.620 | 31.620 | 3.700 |
High resolution limit [Å] | 3.570 | 7.660 | 3.570 |
Rmerge | 0.204 | 0.066 | 0.827 |
Total number of observations | 19754 | ||
Number of reflections | 6315 | ||
<I/σ(I)> | 4 | 11.8 | 1.1 |
Completeness [%] | 89.4 | 93.9 | 89.3 |
Redundancy | 3.1 | 2.9 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 8.1 | 298 | 45% PEG 300, 110 mM ammonium sulfate, 113.5 mM lithium citrate, 100 mM Tris |