4C4N
Crystal structure of the Sonic Hedgehog-heparin 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 | 2012-05-17 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.680, 61.600, 62.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.000 - 2.360 |
R-factor | 0.20225 |
Rwork | 0.201 |
R-free | 0.23227 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.413 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.330 | 2.420 |
High resolution limit [Å] | 2.360 | 2.350 |
Rmerge | 0.060 | 0.630 |
Number of reflections | 15713 | |
<I/σ(I)> | 18.8 | 2.7 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.4 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 100 MM TRIS-HCL PH 8.5; 200 MM SODIUM ACETATE; 30% (W/V) PEG 4000; 8% (V/V) 1,1,1,3,3, 3-HEXAFLUORO-2-PROPANOL |