4F9O

Crystal Structure of recombinant human Hexokinase type I with 2-deoxy-Glucose 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	82.980, 122.090, 120.350
Unit cell angles	90.00, 92.97, 90.00

Refinement procedure

Resolution	35.360 - 2.650
R-factor	0.2406
Rwork	0.240
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.865
Data reduction software	d*TREK (9.7L)
Data scaling software	d*TREK
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.360	35.360	2.740
High resolution limit [Å]	2.650	5.700	2.650
Rmerge	0.086	0.054	0.293
Total number of observations		26627	25768
Number of reflections	69139
<I/σ(I)>	8.4	16.2	3.3
Completeness [%]	99.3	98.8	99
Redundancy	3.82	3.79	3.71

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