4U15
M3-mT4L receptor bound to tiotropium
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 | 2012-12-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.311, 184.563, 52.613 |
Unit cell angles | 90.00, 98.54, 90.00 |
Refinement procedure
Resolution | 28.477 - 2.800 |
R-factor | 0.2316 |
Rwork | 0.230 |
R-free | 0.26140 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.656 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.760 |
High resolution limit [Å] | 2.700 | 6.640 | 2.700 |
Rmerge | 0.129 | 0.057 | |
Total number of observations | 193093 | ||
Number of reflections | 37934 | ||
<I/σ(I)> | 8.6 | ||
Completeness [%] | 96.4 | 93.9 | 93.2 |
Redundancy | 5.1 | 5 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | The best crystallization condition was 100 mM Tris pH 7.5, 44% PEG 300 and 400 mM ammonium tartrate. |