7R9N

Crystal structure of HPK1 in complex with GNE1858

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	93
Detector technology	CCD
Collection date	2014-03-12
Detector	RAYONIX MX-225
Wavelength(s)	0.9790
Spacegroup name	P 1
Unit cell lengths	52.006, 57.963, 61.562
Unit cell angles	70.36, 66.43, 68.57

Refinement procedure

Resolution	27.500 - 1.500
R-factor	0.1668
Rwork	0.166
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cqd
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122_final)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.470	42.470	1.590
High resolution limit [Å]	1.500	4.760	1.500
Rmerge	0.036	0.020	0.246
Rmeas	0.048	0.027	0.331
Rpim	0.032	0.018	0.221
Total number of observations		5899	28924
Number of reflections	89913	2793	13049
<I/σ(I)>	11.7	26.4	3.2
Completeness [%]	93.9	93	94.1
Redundancy	2.2	2.1	2.2
CC(1/2)	0.999	0.998	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1 M HEPES pH 7.5 and 12% PEG 8000