3SBN
trichovirin I-4A in polar environment at 0.9 Angstroem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2009-10-19 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 24.284, 9.896, 37.567 |
Unit cell angles | 90.00, 97.15, 90.00 |
Refinement procedure
Resolution | 37.300 - 0.900 |
R-factor | 0.102 |
R-free | 0.12800 |
Structure solution method | DIRECT METHODS |
RMSD bond length | 0.045 |
RMSD bond angle | 0.076 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | ACORN |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.300 | 0.950 |
High resolution limit [Å] | 0.900 | 0.900 |
Number of reflections | 13524 | |
<I/σ(I)> | 13.2 | 3.1 |
Completeness [%] | 98.4 | 91.6 |
Redundancy | 6.4 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 293 | methanol, acetonitrile, water, pH 7.0, VAPOR DIFFUSION, temperature 293K |