9BIK

Crystal structure of inhibitor 1 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	2015-09-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	68.657, 56.589, 84.979
Unit cell angles	90.00, 98.61, 90.00

Refinement procedure

Resolution	33.940 - 2.250
R-factor	0.1985
Rwork	0.196
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.654
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.106	0.746
Number of reflections	204275	2939
<I/σ(I)>	17.2	2.2
Completeness [%]	99.0
Redundancy	6.7
CC(1/2)	0.790	0.790

Crystallization Conditions

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