7I80

Crystal Structure of 19 bound to CK2a

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-31
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	58.245, 45.968, 62.899
Unit cell angles	90.00, 111.66, 90.00

Refinement procedure

Resolution	22.990 - 1.570
R-factor	0.192
Rwork	0.191
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.970
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]	54.130	1.650
High resolution limit [Å]	1.570	1.570
Rmerge	0.054	1.536
Rmeas	0.060	1.699
Rpim	0.025	0.716
Total number of observations	236847	34456
Number of reflections	43509	6334
<I/σ(I)>	13.8	0.9
Completeness [%]	99.9
Redundancy	5.4	5.4
CC(1/2)	0.999	0.441

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