4C2B
Crystal Structure of High-Affinity von Willebrand Factor A1 domain with Disulfide Mutation in Complex with High Affinity GPIb alpha
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2013-04-05 |
Detector | MARRESEARCH MX-300 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 96.530, 103.840, 119.930 |
Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
Resolution | 48.265 - 2.800 |
R-factor | 0.2566 |
Rwork | 0.253 |
R-free | 0.28590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c2a |
RMSD bond length | 0.002 |
RMSD bond angle | 0.465 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.300 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.590 | |
Number of reflections | 56526 | |
<I/σ(I)> | 2.56 | 0.3 |
Completeness [%] | 96.6 | 80.9 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | CRYSTALS OF A1/SS-GPIB/VWD2 COMPLEX APPEARED IN DROPS WITH 20% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. THESE CRYSTALS WERE CRUSHED AND USED FOR SEEDING CRYSTAL GROWTH IN 8 MG/ML COMPLEX, 15% PEG 4000, 0.16 M AMMONIUM SULFATE, 0.08 M SODIUM ACETATE, PH 4.6, AND 20% GLYCEROL. SINCE THESE CRYSTALS WERE FORMED IN BUFFER CONTAINING 20% GLYCEROL, NO ADDITIONAL CRYOPROTECTION WAS USED. |