7I8G

Crystal Structure of 58f 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	2020-01-24
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9119
Spacegroup name	P 21 21 21
Unit cell lengths	49.390, 62.217, 116.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.010 - 1.230
R-factor	0.191
Rwork	0.191
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.000
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]	58.460	1.290
High resolution limit [Å]	1.230	1.230
Rmerge	0.104	1.289
Rmeas	0.108	1.361
Rpim	0.029	0.428
Total number of observations	1398606	148276
Number of reflections	105891	15201
<I/σ(I)>	11.9	1.6
Completeness [%]	99.9
Redundancy	13.2	9.8
CC(1/2)	0.998	0.522

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