6Q4Q

The Crystal structure of CK2a bound to P2-C4

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	2018-08-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	49.272, 125.221, 66.456
Unit cell angles	90.00, 92.60, 90.00

Refinement procedure

Resolution	66.390 - 1.450
R-factor	0.205
Rwork	0.205
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cvh
RMSD bond length	0.010
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.390	66.390	1.520
High resolution limit [Å]	1.440	4.570	1.440
Rmerge	0.097	0.054	1.967
Rmeas	0.103	0.057	2.111
Rpim	0.036	0.020	0.756
Number of reflections	141235	4638	20828
<I/σ(I)>	10.6
Completeness [%]	98.5	99.9	100
Redundancy	8.2	8.1	7.7
CC(1/2)	0.998	0.998	0.452

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.16 M Calcium Acetate pH 6.5, 0.08 M Sodium Cacodylate, 14.4% PEG 8K, 20% Glycerol