9BJ1

Crystal structure of inhibitor GNE-6893 bound to HPK1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2017-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	51.483, 56.998, 61.527
Unit cell angles	86.67, 85.37, 66.70

Refinement procedure

Resolution	30.650 - 2.180
R-factor	0.1756
Rwork	0.173
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.764
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.260
High resolution limit [Å]	2.180	4.700	2.180
Rmerge	0.129	0.081	0.383
Rmeas		0.097	0.497
Rpim		0.052	0.314
Number of reflections	31988	3263	2979
<I/σ(I)>	6.8
Completeness [%]	96.2	97.9	90.1
Redundancy	2.6	3.1	2
CC(1/2)		0.990	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M Tris-HCl, pH 8.5, 0.25 M sodium tartrate and 12% PEG 8000