9RHH

Crystal structure of Kinase domain of HRI kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.670205
Spacegroup name	P 1 21 1
Unit cell lengths	56.366, 78.137, 90.173
Unit cell angles	90.00, 99.22, 90.00

Refinement procedure

Resolution	44.110 - 2.080
R-factor	0.2074
Rwork	0.206
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.448
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.7.8)
Phasing software	PHASER (7.1.018)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.000	2.300
High resolution limit [Å]	2.080	2.080
Rmerge	0.088	0.760
Rmeas	0.104	0.894
Rpim	0.055	0.467
Number of reflections	32218	1611
<I/σ(I)>	8.9	1.7
Completeness [%]	93.1	68.7
Redundancy	3.5	3.6
CC(1/2)	0.997	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M Lithium Chloride, 20% PEG 3350