5KZV
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.248, 28.349, 61.929 |
| Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
| Resolution | 34.503 - 1.616 |
| R-factor | 0.1757 |
| Rwork | 0.174 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c79 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.307 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.125 | 0.115 | 0.599 |
| Rmeas | 0.143 | 0.133 | 0.787 |
| Rpim | 0.069 | 0.065 | 0.505 |
| Total number of observations | 53587 | ||
| Number of reflections | 14974 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 93.0 | 96.3 | 57.2 |
| Redundancy | 3.6 | 4 | 1.6 |
| CC(1/2) | 0.962 | 0.493 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.15M potassium bromide and 30% PEG MME 2000 |
