4C79
Crystal structure of the Smoothened CRD, native
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 68.620, 68.620, 95.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.203 - 2.604 |
R-factor | 0.2157 |
Rwork | 0.214 |
R-free | 0.25990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c7a |
RMSD bond length | 0.004 |
RMSD bond angle | 0.714 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.000 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.130 | 0.650 |
Number of reflections | 7307 | |
<I/σ(I)> | 14.4 | 2.4 |
Completeness [%] | 98.9 | 94.7 |
Redundancy | 8.8 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 100 MM HEPES PH7.0, PEG 6000 20%, 10 MM ZNCL2 |