4DMU
Crystal structure of the von Willebrand factor A3 domain in complex with a collagen III derived triple-helical peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9395 |
| Spacegroup name | P 6 |
| Unit cell lengths | 187.614, 187.614, 89.373 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.320 - 2.800 |
| R-factor | 0.20416 |
| Rwork | 0.202 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ATZ & 4DMT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.649 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.081 | 0.452 |
| Number of reflections | 41019 | |
| <I/σ(I)> | 14.9 | 2.3 |
| Completeness [%] | 92.5 | 73.1 |
| Redundancy | 7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 100 mM cacodylate, pH 6.5, 1.20 M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
