3PPW
Crystal structure of the D1596A mutant of an engineered VWF A2 domain (N1493C and C1670S)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-10 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.0000 |
Spacegroup name | P 65 |
Unit cell lengths | 72.059, 72.059, 76.258 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.580 - 1.900 |
R-factor | 0.20471 |
Rwork | 0.204 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ppv |
RMSD bond length | 0.006 |
RMSD bond angle | 1.086 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.056 | 0.231 |
Number of reflections | 17603 | |
<I/σ(I)> | 25.5 | 19.2 |
Completeness [%] | 98.9 | 97.7 |
Redundancy | 4.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 0.1M sodium citrate, 1.6M (NH4)2SO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |