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 |
