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