8BWV
Crystal Structure of SilF Cu(I)
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 | 2020-01-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.999 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 77.297, 77.297, 187.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.275 - 2.200 |
Rwork | 0.280 |
R-free | 0.29860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.440 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.275 | 2.200 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 28978 | 2855 |
<I/σ(I)> | 7.8 | 1.8 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 24.2 | 16.5 |
CC(1/2) | 0.997 | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M potassium sodium tartrate tetrahydrate & 20% w/v PEG 3350 |