4QIN
Structure of the human smoothened receptor in complex with SAG1.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0330 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.220, 158.930, 60.020 |
| Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
| Resolution | 44.420 - 2.600 |
| R-factor | 0.2272 |
| Rwork | 0.225 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Two independent search models of SMO and BRIL domains from PDB entry 4JKV |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.129 | 1.000 |
| Number of reflections | 18991 | |
| <I/σ(I)> | 21.4 | 1.8 |
| Completeness [%] | 87.5 | 53.6 |
| Redundancy | 18.6 | 14.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Lipidic Cubic Phase (LCP) | 6 | 293 | 100mM MgSO4, 100mM MES pH6.0, 30% PEG400, 2-3% Polypropylene glycol P 400, Lipidic Cubic Phase (LCP), temperature 293K |
