8SY3

Copper Complex of Peanut USP-type BURP Domain Peptide Cyclase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.3777
Spacegroup name	P 61 2 2
Unit cell lengths	105.407, 105.407, 223.838
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.740 - 3.200
R-factor	0.22972
Rwork	0.228
R-free	0.26887
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.661
Data reduction software	xia2
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.740	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.118	1.314
Rmeas	0.129	1.425
Rpim	0.051	0.543
Total number of observations	80746	14880
Number of reflections	12803	2229
<I/σ(I)>	8.8	1
Completeness [%]	99.7
Redundancy	6.3	6.7
CC(1/2)	0.996	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.4	295.2	2.7 M sodium formate, 0.1 M Tris pH 8.0