7I8K

Crystal Structure of 61f 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	2021-10-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	58.661, 45.907, 63.260
Unit cell angles	90.00, 112.07, 90.00

Refinement procedure

Resolution	27.320 - 1.377
R-factor	0.2096
Rwork	0.208
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (16-JUL-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.360	1.450
High resolution limit [Å]	1.380	1.380
Rmerge	0.052	4.480
Rmeas	0.053	4.579
Rpim	0.011	0.940
Total number of observations	1474046	216371
Number of reflections	64679	9349
<I/σ(I)>	25	0.7
Completeness [%]	99.9
Redundancy	22.8	23.1
CC(1/2)	1.000	0.461

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