9J9N

artificial mononuclear Zn-bound metalloprotein 2 (M2: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
Unit cell lengths	136.120, 136.120, 48.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.470 - 2.860
R-factor	0.19662
Rwork	0.194
R-free	0.24989
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.296
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	3.030
High resolution limit [Å]	2.860	8.270	2.860
Rmerge	0.090	0.053	0.538
Rmeas	0.127	0.075	0.761
Number of reflections	23436	473	2612
<I/σ(I)>	4.24
Completeness [%]	99.8
Redundancy	5.4
CC(1/2)	0.985	0.986	0.573

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