9FYF

Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-01
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97626
Spacegroup name	P 43 21 2
Unit cell lengths	127.184, 127.184, 124.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.950 - 2.700
R-factor	0.20421
Rwork	0.202
R-free	0.24896
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.256
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	127.180	2.830
High resolution limit [Å]	2.700	2.700
Number of reflections	28599	3722
<I/σ(I)>	13.1
Completeness [%]	100.0
Redundancy	27.6
CC(1/2)	0.998	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate