11CU

Crystal structure of ZnO48_baseKO_ES_complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	76.945, 81.092, 105.893
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.620 - 2.740
R-factor	0.2239
Rwork	0.218
R-free	0.27160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.495
Data reduction software	AutoPD
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.620	2.890
High resolution limit [Å]	2.740	2.740
Rmerge	0.197	3.031
Rpim	0.056	0.852
Number of reflections	17985	2584
<I/σ(I)>	9.2	1.3
Completeness [%]	100.0	100
Redundancy	13.8	14.4
CC(1/2)	0.998	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	60% v/v Tacsimate pH 7.0