7I84

Crystal Structure of APL1867 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	2018-09-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	58.484, 46.429, 63.247
Unit cell angles	90.00, 112.03, 90.00

Refinement procedure

Resolution	36.400 - 1.970
R-factor	0.188
Rwork	0.186
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.020
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]	96.590	2.440
High resolution limit [Å]	2.320	2.320
Rmerge	0.576	2.494
Rmeas	0.674	3.087
Rpim	0.338	1.782
Total number of observations	79552	5481
Number of reflections	21067	2416
<I/σ(I)>	2.6	0.4
Completeness [%]	92.0
Redundancy	3.8	2.3
CC(1/2)	0.880	0.503

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