9J9O

artificial dinuclear Zn-bound metalloprotein 1 (D1:2Zn)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-29
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979330
Spacegroup name	P 3
Unit cell lengths	137.800, 137.800, 49.545
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.280 - 2.990
R-factor	0.19471
Rwork	0.192
R-free	0.23887
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.170
High resolution limit [Å]	2.990	8.600	2.990
Rmerge	0.166	0.030	0.742
Rmeas	0.178	0.041	0.975
Number of reflections	21105	280	1412
<I/σ(I)>	9.99
Completeness [%]	99.4
Redundancy	7.85
CC(1/2)	0.996	0.997	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.3 M MgCl2, 0.1 M MOPS pH 8.0, and 28 % w/v PEG 2000