7I8R

Crystal Structure of 54m 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	2020-11-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	58.411, 46.306, 63.082
Unit cell angles	90.00, 111.95, 90.00

Refinement procedure

Resolution	54.180 - 1.720
R-factor	0.179
Rwork	0.177
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.040
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]	54.180	1.810
High resolution limit [Å]	1.720	1.720
Rmerge	0.166	1.877
Rmeas	0.179	2.031
Rpim	0.067	0.770
Total number of observations	226947	32014
Number of reflections	32549	4673
<I/σ(I)>	7.5	1.1
Completeness [%]	97.7
Redundancy	7	6.9
CC(1/2)	0.997	0.376

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