9PYL

Crystal structure of Zn(II)-bound ZETA_2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	42.705, 52.625, 98.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.430 - 2.070
R-factor	0.2441
Rwork	0.241
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.465
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.860	2.130
High resolution limit [Å]	2.070	2.070
Rmerge	0.499	1.418
Number of reflections	14015	1071
<I/σ(I)>	7.6	2.1
Completeness [%]	98.9	99.2
Redundancy	12.4	12.4
CC(1/2)	0.963	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.2M MgCl2, 0.1M Tris pH 8.5, 30% PEG4000