6Z84

CK2 alpha bound to chemical probe SGC-CK2-1 derivative

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.99999
Spacegroup name	P 43 21 2
Unit cell lengths	126.352, 126.352, 124.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.670 - 2.500
Rwork	0.215
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yul
RMSD bond length	0.009
RMSD bond angle	1.406
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.670	2.600
High resolution limit [Å]	2.500	2.500
Rpim	0.056	0.415
Number of reflections	35531	3947
<I/σ(I)>	12.7	2
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.998	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate