7I8H

Crystal Structure of 58b 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	2020-08-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	58.396, 45.741, 62.726
Unit cell angles	90.00, 112.15, 90.00

Refinement procedure

Resolution	50.120 - 1.390
R-factor	0.188
Rwork	0.187
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
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]	50.120	1.460
High resolution limit [Å]	1.390	1.390
Rmerge	0.207	3.011
Rmeas	0.211	3.075
Rpim	0.041	0.615
Total number of observations	1565974	209474
Number of reflections	60194	8533
<I/σ(I)>	15.6	2
Completeness [%]	96.7
Redundancy	26	24.5
CC(1/2)	0.999	0.514

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