9NBS

Structure of HPK1 with compound R2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	91
Detector technology	CCD
Collection date	2016-08-06
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	52.047, 58.075, 61.646
Unit cell angles	70.00, 66.51, 68.09

Refinement procedure

Resolution	52.470 - 1.800
R-factor	0.1672
Rwork	0.165
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.948
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.470	1.890
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.374
Rmeas	0.069	0.528
Rpim	0.048	0.374
Total number of observations	108089	15492
Number of reflections	54159	7760
<I/σ(I)>	9.8	2.2
Completeness [%]	97.1
Redundancy	2	2
CC(1/2)	0.988	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	as described