12SA

Crystal Structure of the Catalytic Subunit of the Circadian Regulator Casein Kinase 2 from Neurospora crassa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-01-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9199
Spacegroup name	P 1 21 1
Unit cell lengths	84.177, 106.752, 137.292
Unit cell angles	90.00, 104.41, 90.00

Refinement procedure

Resolution	46.200 - 2.800
R-factor	0.2173
Rwork	0.216
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.613
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.113	1.054
Rmeas	0.128	1.190
Rpim	0.060	0.546
Number of reflections	58064	5787
<I/σ(I)>	9.4	1.2
Completeness [%]	99.9	100
Redundancy	4.4	4.6
CC(1/2)	0.996	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.1 M BES-Triethanolamine 10% w/v PEG 8000, 20% v/v 1,5-Pentanediol 0.001M Rubidium chloride 0.001M Strontium acetate 0.001M Cesium acetate 0.001M Barium acetate