4C29
Crystal Structure of High-Affinity von Willebrand Factor A1 domain with Disulfide Mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID |
| Synchrotron site | APS |
| Beamline | 23-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2012-04-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.249, 50.071, 96.869 |
| Unit cell angles | 90.00, 92.73, 90.00 |
Refinement procedure
| Resolution | 41.202 - 2.202 |
| R-factor | 0.1881 |
| Rwork | 0.185 |
| R-free | 0.23510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1auq |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.663 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.150 | 0.540 |
| Number of reflections | 20133 | |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 99.5 | 98 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | CRYSTALS OF A1/SS APPEARED IN DROPS CONTAINING 25% PEG3350 AND 0.2 M CALCIUM ACETATE. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING. CRYSTALS GROWN IN 8 MG/ML PROTEIN, 15% PEG3350, AND 0.2 M CALCIUM ACETATE WERE HARVESTED, AND SOAKED IN THE SAME BUFFER CONTAINING 20% GLYCEROL FOR CRYOPROTECTION., pH 4.6 |
