7ZI0
Structure of human Smoothened in complex with cholesterol and SAG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.860, 63.150, 208.060 |
| Unit cell angles | 90.00, 96.29, 90.00 |
Refinement procedure
| Resolution | 60.000 - 3.000 |
| R-factor | 0.2331 |
| Rwork | 0.231 |
| R-free | 0.27480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l7d |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.641 |
| Data reduction software | DIALS (v1.1.3) |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.400 | 3.080 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.097 | 0.797 |
| Rpim | 0.082 | 0.796 |
| Number of reflections | 31218 | 2012 |
| <I/σ(I)> | 9.9 | 1 |
| Completeness [%] | 97.1 | 87.5 |
| Redundancy | 3.1 | 2.3 |
| CC(1/2) | 0.992 | 0.363 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293 | 0.1 M MES pH6.0, 0.09-0.12 M potassium formate, 24-27% (v/v) PEG500 DME, 0.5 mM zinc chloride, 0.1 M ammonium fluoride |
