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 |
