7SIU

Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	69.370, 69.370, 323.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.900 - 1.786
R-factor	0.1867
Rwork	0.186
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ggf
RMSD bond length	0.008
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER (2.11.7 (19-MAR-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.900	1.817
High resolution limit [Å]	1.786	1.787
Rpim	0.029	0.405
Number of reflections	75564	3293
<I/σ(I)>	17.6
Completeness [%]	98.9
Redundancy	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	296	20% PEG1000, 100 mM Li2SO4, 100 mM Sodium Citrate, pH 5.5