9J9P

artificial mononuclear Zn-bound metalloprotein 3 (M3:Zn)

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 EIGER X 9M
Wavelength(s)	0.979340
Spacegroup name	P 3 2 1
Unit cell lengths	136.572, 136.572, 49.683
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.570 - 3.470
R-factor	0.21673
Rwork	0.214
R-free	0.26588
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.918
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	3.680
High resolution limit [Å]	3.470	9.890	3.470
Rmerge	0.340	0.044	1.563
Rmeas	0.310	0.057	0.836
Number of reflections	6986	124	491
<I/σ(I)>	2.93
Completeness [%]	99.8
Redundancy	6.5
CC(1/2)	0.937	0.997	0.836

Crystallization Conditions

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