4FOE

Crystal Structure of recombinant human Hexokinase type I with Mannose 6-Phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Detector	NOIR-1
Spacegroup name	P 1 21 1
Unit cell lengths	82.440, 122.090, 118.950
Unit cell angles	90.00, 92.65, 90.00

Refinement procedure

Resolution	45.780 - 2.700
R-factor	0.2447
Rwork	0.244
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.887
Data reduction software	d*TREK (9.7L)
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	2.770
High resolution limit [Å]	2.700	2.700
Number of reflections	61373
Completeness [%]	99.8	99.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	6	277	PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K