5V57
3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2015-05-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.080, 356.360, 59.090 |
| Unit cell angles | 90.00, 102.79, 90.00 |
Refinement procedure
| Resolution | 48.380 - 3.000 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5v56 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.380 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.117 | 0.393 |
| Number of reflections | 29571 | |
| <I/σ(I)> | 7.5 | 1.9 |
| Completeness [%] | 91.9 | 81.3 |
| Redundancy | 3.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5 | 293 | 100 mM Sodium citrate tribasic dihydrate pH 5.0, 36% (v/v) PEG 400, 50-200 mM Ammonium nitrate |
