7R9P

Crystal structure of HPK1 in complex with compound 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2015-06-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979500
Spacegroup name	P 1
Unit cell lengths	53.258, 57.105, 61.646
Unit cell angles	85.77, 85.38, 67.65

Refinement procedure

Resolution	39.120 - 2.270
R-factor	0.2108
Rwork	0.210
R-free	0.23210
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]	45.530	45.530	2.390
High resolution limit [Å]	2.270	7.180	2.270
Rmerge	0.058	0.019	0.508
Rmeas	0.068	0.023	0.588
Rpim	0.034	0.012	0.296
Total number of observations	106277	3301	15298
Number of reflections	27431	868	3943
<I/σ(I)>	14.3	45.3	2.5
Completeness [%]	88.8	88.7	87.3
Redundancy	3.9	3.8	3.9
CC(1/2)	0.999	0.999	0.852

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