7I86

Crystal Structure of 23 bound to CK2a

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	2018-11-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	58.351, 45.852, 63.061
Unit cell angles	90.00, 111.50, 90.00

Refinement procedure

Resolution	54.290 - 1.320
R-factor	0.19
Rwork	0.188
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.020
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]	54.290	1.390
High resolution limit [Å]	1.320	1.320
Rmerge	0.063	0.897
Rmeas	0.074	1.065
Rpim	0.038	0.563
Total number of observations	234893	18915
Number of reflections	67267	5803
<I/σ(I)>	9.8	1.6
Completeness [%]	91.6
Redundancy	3.5	3.3
CC(1/2)	0.996	0.390

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