7I8D

Crystal Structure of 61a 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	2020-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	58.219, 46.033, 62.832
Unit cell angles	90.00, 111.87, 90.00

Refinement procedure

Resolution	27.600 - 1.380
R-factor	0.194
Rwork	0.193
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.010
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]	58.310	1.460
High resolution limit [Å]	1.380	1.380
Rmerge	0.055	1.891
Rmeas	0.060	2.049
Rpim	0.023	0.782
Total number of observations	430485	62431
Number of reflections	63102	9185
<I/σ(I)>	12.6	0.9
Completeness [%]	100.0
Redundancy	6.8	6.8
CC(1/2)	0.999	0.479

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