7I8M

Crystal Structure of 14 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	2018-03-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	58.583, 46.197, 62.721
Unit cell angles	90.00, 112.24, 90.00

Refinement procedure

Resolution	50.230 - 1.310
R-factor	0.201
Rwork	0.200
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.990
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]	50.230	1.390
High resolution limit [Å]	1.310	1.310
Rmerge	0.117	1.379
Rmeas	0.133	1.578
Rpim	0.062	0.757
Total number of observations	314591	44775
Number of reflections	73135	10765
<I/σ(I)>	6.5	1
Completeness [%]	98.8
Redundancy	4.3	4.2
CC(1/2)	0.995	0.373

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