6D32
Crystal structure of Xenopus Smoothened in complex with cyclopamine
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 | 2017-10-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0333 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.778, 79.232, 104.076 |
| Unit cell angles | 90.00, 108.51, 90.00 |
Refinement procedure
| Resolution | 41.054 - 3.751 |
| R-factor | 0.2287 |
| Rwork | 0.227 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l7d 5KZY and 4O9R |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.840 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.630 | 3.810 |
| High resolution limit [Å] | 3.740 | 3.740 |
| Number of reflections | 11676 | 504 |
| <I/σ(I)> | 6.1 | 1.9 |
| Completeness [%] | 99.3 | 88.6 |
| Redundancy | 6.5 | 5.6 |
| CC(1/2) | 0.992 | 0.617 |
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 |
