3HM8

Crystal structure of the C-terminal Hexokinase domain of human HK3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-20
Detector	ADSC QUANTUM 315
Spacegroup name	P 41
Unit cell lengths	83.904, 83.904, 323.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.245
Rwork	0.245
R-free	0.27000
Structure solution method	MR
Starting model (for MR)	2nzt chain A residues 468 through 913
RMSD bond length	0.011
RMSD bond angle	1.054
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge		0.666
Number of reflections	53686
Completeness [%]	98.4	86.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.2	291	reservoir solution: 16% PEG 3350, 0.20 M Ammonium Citrate, 0.1 M HEPES. 0.005 M glucose-6-phosphate, 0.005 M ADP-Mg, 0.02 M TCEP, 1:100 (w/w) trypsin was added to the protein stock solution., pH 7.2, vapor diffusion, sitting drop, temperature 291K