7I88

Crystal Structure of 50 bound to CK2a

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	58.650, 45.981, 63.541
Unit cell angles	90.00, 111.50, 90.00

Refinement procedure

Resolution	21.670 - 1.960
R-factor	0.183
Rwork	0.181
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.570	2.060
High resolution limit [Å]	1.960	1.960
Rmerge	0.170	1.183
Rmeas	0.186	1.288
Rpim	0.073	0.505
Total number of observations	149860	21768
Number of reflections	23027	3337
<I/σ(I)>	7.6	2.4
Completeness [%]	99.9
Redundancy	6.5	6.5
CC(1/2)	0.991	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate