4O9R
Human Smoothened Receptor structure in complex with cyclopamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 294 |
| Detector technology | PIXEL |
| Collection date | 2013-03 |
| Detector | Cornell-SLAC Pixel Array Detector (CSPAD) |
| Wavelength(s) | 1.3 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.500, 157.300, 52.400 |
| Unit cell angles | 90.00, 97.00, 90.00 |
Refinement procedure
| Resolution | 39.325 - 3.204 |
| R-factor | 0.2339 |
| Rwork | 0.232 |
| R-free | 0.27790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4JKV for SMO and PDB ENTRY 4IB4 for BRIL |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.613 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.700 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 10785 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Lipidic Cubic Phase (LCP) | 7 | 293 | 100 mM Hepes, 30 % (v/v) PEG 400, 100 mM NaCl , pH 7.0, Lipidic Cubic Phase (LCP), temperature 293K |
