7O7I

Crystal structure of the human HIPK3 kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999998
Spacegroup name	P 32 2 1
Unit cell lengths	80.279, 80.279, 181.989
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.710 - 2.500
R-factor	0.2464
Rwork	0.243
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p5s
RMSD bond length	0.001
RMSD bond angle	0.404
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.710	2.590
High resolution limit [Å]	2.500	2.500
Rmeas	0.126
Number of reflections	17854	236
<I/σ(I)>	12.38
Completeness [%]	73.7
Redundancy	17
CC(1/2)	0.890	0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	288	0.1 M Hepes (pH 7.5), 0.2 M MgCl2, and 15-17% (v/w) medium weight PEG mix