7I7Z

Crystal Structure of 31 bound to CK2a

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	58.313, 46.178, 63.435
Unit cell angles	90.00, 111.50, 90.00

Refinement procedure

Resolution	54.260 - 1.350
R-factor	0.214
Rwork	0.213
R-free	0.23600
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]	59.022	1.439
High resolution limit [Å]	1.354	1.354
Rmerge	0.097	1.618
Rmeas	0.107	1.756
Rpim	0.044	0.677
Total number of observations	288837	17257
Number of reflections	51807	2591
<I/σ(I)>	9.1	1.4
Completeness [%]	75.7
Redundancy	5.6	6.7

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