6D35
Crystal structure of Xenopus Smoothened in complex with cholesterol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-11-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0333 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.551, 77.262, 103.343 |
| Unit cell angles | 90.00, 108.31, 90.00 |
Refinement procedure
| Resolution | 36.098 - 3.900 |
| R-factor | 0.2577 |
| Rwork | 0.253 |
| R-free | 0.30450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6d32 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.656 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.970 |
| High resolution limit [Å] | 3.900 | 10.550 | 3.900 |
| Rmerge | 0.192 | 0.068 | 0.526 |
| Rmeas | 0.239 | 0.084 | 0.706 |
| Rpim | 0.139 | 0.047 | 0.466 |
| Total number of observations | 18197 | ||
| Number of reflections | 8172 | 484 | 308 |
| <I/σ(I)> | 5 | ||
| Completeness [%] | 79.3 | 89.3 | 60.2 |
| Redundancy | 2.2 | 2.9 | 1.5 |
| CC(1/2) | 0.992 | 0.474 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 35-45% PEG 300, 300-500 mM LiSO4, 0.1 M MES pH 6-6.5 |
