4C4M
Crystal structure of the Sonic Hedgehog-chondroitin-4-sulphate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Collection date | 2012-07-08 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.350, 55.660, 71.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.828 - 1.740 |
R-factor | 0.1618 |
Rwork | 0.160 |
R-free | 0.19340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.118 |
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] | 43.800 | 1.790 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.080 | 0.700 |
Number of reflections | 17037 | |
<I/σ(I)> | 15.3 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.9 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 25% (W/V) PEG 3350, 100 MM HEPES PH 7.5 |