9QY7

Crystal Structure of 54e bound to CK2a

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-08
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9159
Spacegroup name	P 1 21 1
Unit cell lengths	58.295, 45.809, 63.064
Unit cell angles	90.00, 111.39, 90.00

Refinement procedure

Resolution	49.960 - 1.390
R-factor	0.183
Rwork	0.182
R-free	0.20800
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]	49.960	1.460
High resolution limit [Å]	1.390	1.390
Rmerge	0.075	2.022
Rmeas	0.085	2.298
Rpim	0.040	1.075
Total number of observations	275869	39546
Number of reflections	62446	9036
<I/σ(I)>	9.6	0.7
Completeness [%]	99.8
Redundancy	4.4	4.4
CC(1/2)	0.999	0.371

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