8BHU

Crystal Structure of SilF (Ag(I) form

This is a non-PDB format compatible entry.

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	2021-02-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	60.937, 81.594, 95.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.113 - 1.700
Rwork	0.199
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bbz
RMSD bond length	0.011
RMSD bond angle	1.583
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.113	1.761
High resolution limit [Å]	1.700	1.700
Number of reflections	53238	5226
<I/σ(I)>	12.8	0.7
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.998	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	(0.2 M LiSO4, 0.1 M Bis Tris pH 6.5, 25% w/v PEG 3350