5L7D
Structure of human Smoothened in complex with cholesterol
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 | 2015-09-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.900, 63.020, 208.590 |
| Unit cell angles | 90.00, 96.64, 90.00 |
Refinement procedure
| Resolution | 29.330 - 3.200 |
| R-factor | 0.2318 |
| Rwork | 0.230 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qim |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.000 | 3.410 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.305 | |
| Number of reflections | 25214 | |
| <I/σ(I)> | 4.3 | 0.6 |
| Completeness [%] | 93.8 | 78.8 |
| Redundancy | 5.8 | 5.1 |
| CC(1/2) | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293 | 0.1 M MES pH 6, 30% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride |
