4UB7

High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-21
Detector	MAR CCD 165 mm
Wavelength(s)	0.8123
Spacegroup name	P 43 21 2
Unit cell lengths	72.593, 72.593, 135.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.004 - 2.100
R-factor	0.1793
Rwork	0.177
R-free	0.21870
RMSD bond length	0.003
RMSD bond angle	0.642
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	19.690
High resolution limit [Å]	2.100
Number of reflections	21710
<I/σ(I)>	17.8
Completeness [%]	98.9
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	4M sodium chloride