9J9L

artificial mononuclear Zn-bound metalloprotein 1 (M1:Zn)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000030
Spacegroup name	P 3 2 1
Unit cell lengths	136.990, 136.990, 49.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.660 - 2.600
R-factor	0.1986
Rwork	0.195
R-free	0.27822
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.492
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]	30.000	30.000	2.760
High resolution limit [Å]	2.600	7.570	2.600
Rmerge	0.036	0.020	0.228
Rmeas	0.047	0.025	0.304
Number of reflections	16691	335	1825
<I/σ(I)>	10.29
Completeness [%]	99.8
Redundancy	11.7
CC(1/2)	0.999	0.999	0.912

Crystallization Conditions

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