7I83

Crystal Structure of 33 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
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	58.605, 46.387, 62.947
Unit cell angles	90.00, 111.93, 90.00

Refinement procedure

Resolution	22.110 - 1.510
R-factor	0.195
Rwork	0.193
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.930
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]	54.360	1.590
High resolution limit [Å]	1.510	1.510
Rmerge	0.082	1.654
Rmeas	0.087	1.764
Rpim	0.028	0.601
Total number of observations	461624	56577
Number of reflections	48869	6836
<I/σ(I)>	16.2	1.1
Completeness [%]	98.2
Redundancy	9.4	8.3
CC(1/2)	0.999	0.482

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