9J9Q

artificial mononuclear Cu-bound metalloprotein 6 (M6:Cu)

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	2024-05-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979330
Spacegroup name	P 1
Unit cell lengths	42.467, 52.250, 55.880
Unit cell angles	100.87, 100.39, 112.11

Refinement procedure

Resolution	27.360 - 2.490
R-factor	0.23469
Rwork	0.232
R-free	0.29039
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.341
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.360	27.360	2.640
High resolution limit [Å]	2.490	7.250	2.490
Rmerge	0.032	0.030	0.058
Rmeas	0.045	0.043	0.082
Number of reflections	14194	146	821
<I/σ(I)>	10.72
Completeness [%]	97.0
Redundancy	3.49
CC(1/2)	0.997	0.996	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Li2SO4, 20 % PEG 4000, pH 8.0 0.1M MOPS