8DRL

Zn(II)-bound B2 dimer (H60/H100/H104) formed in Cu(II)//Zn(II) (M1 // M2) condition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.27159
Spacegroup name	P 2 21 21
Unit cell lengths	39.640, 52.410, 58.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 1.650
R-factor	0.1829
Rwork	0.181
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.007
RMSD bond angle	0.845
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.640	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.040	0.123
Rmeas	0.057	0.174
Rpim	0.040	0.123
Number of reflections	15118	2910
<I/σ(I)>	15.46	5.03
Completeness [%]	99.0
Redundancy	2
CC(1/2)	0.998	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	PEG3350 24%, CHES 100 mM