4F7O
Crystal structure of CSN5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979408 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.734, 46.505, 71.261 |
| Unit cell angles | 90.00, 100.27, 90.00 |
Refinement procedure
| Resolution | 29.000 - 2.600 |
| R-factor | 0.2194 |
| Rwork | 0.216 |
| R-free | 0.27420 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.161 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | Superflip |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.367 | |
| Number of reflections | 15164 | |
| Completeness [%] | 93.0 | 68.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG3350, KSCN, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
