7I8I

Crystal Structure of 61b 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	2020-10-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	58.455, 45.943, 63.229
Unit cell angles	90.00, 112.29, 90.00

Refinement procedure

Resolution	21.520 - 1.470
R-factor	0.182
Rwork	0.180
R-free	0.20800
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]	58.510	1.540
High resolution limit [Å]	1.470	1.470
Rmerge	0.065	1.828
Rmeas	0.070	1.969
Rpim	0.026	0.726
Total number of observations	367205	53133
Number of reflections	51614	7340
<I/σ(I)>	14	1
Completeness [%]	96.7
Redundancy	7.1	7.2
CC(1/2)	0.999	0.496

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