3HXQ
Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer ARC1172, an Inhibitor of VWF-Platelet Binding
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-03-17 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 117.781, 48.512, 62.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.000 - 2.694 |
R-factor | 0.223 |
Rwork | 0.221 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hxo |
RMSD bond length | 0.003 |
RMSD bond angle | 0.725 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 2.800 |
High resolution limit [Å] | 2.694 | 2.690 |
Rmerge | 0.080 | 0.316 |
Number of reflections | 9819 | |
<I/σ(I)> | 17.2 | 2.8 |
Completeness [%] | 94.8 | 83.9 |
Redundancy | 6.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 293 | 0.2 M NH4Ac, 0.1 M NaAc, 30% PEG4000, pH 4.6, EVAPORATION, temperature 293K |