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 |