7R9T

Crystal structure of HPK1 in complex with compound 17

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	2015-07-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979500
Spacegroup name	P 1
Unit cell lengths	52.257, 58.272, 61.677
Unit cell angles	69.91, 66.21, 68.21

Refinement procedure

Resolution	46.030 - 2.000
R-factor	0.1997
Rwork	0.198
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cqd
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122_final)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.116	0.083	0.312
Rmeas	0.151	0.108	0.413
Rpim	0.095	0.068	0.268
Total number of observations	77472
Number of reflections	35176	3476	3131
<I/σ(I)>	5.3
Completeness [%]	87.1	85.9	77.9
Redundancy	2.2	2.2	2.1
CC(1/2)		0.974	0.765

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