3C8P
X-ray structure of Viscotoxin A1 from Viscum album L.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-10 |
Detector | BRUKER SMART 6000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 65.730, 65.730, 47.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.160 - 1.250 |
R-factor | 0.151 |
R-free | 0.19100 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 0.028 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | SHELXD |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.160 | 1.350 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.089 | 0.304 |
Number of reflections | 29217 | |
<I/σ(I)> | 25.5 | 2.61 |
Completeness [%] | 100.0 | 100 |
Redundancy | 1.8 | 1.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 298 | 1.4M Sodium citrate, 0.1 M HEPES pH 7.5, vapor diffusion, temperature 298K, pH 7.50 | |
1 | 7.5 | 298 | 1.4M Sodium citrate, 0.1 M HEPES pH 7.5, vapor diffusion, temperature 298K, pH 7.50 |