1CZA

MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	110
Detector technology	CCD
Collection date	1998-09-06
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	145.660, 145.800, 58.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000 *
R-factor	0.213
Rwork	0.211
R-free	0.26800 *
RMSD bond length	0.016 *
RMSD bond angle	0.036 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.048 *	0.410 *
Total number of observations	286697 *
Number of reflections	83349 *
<I/σ(I)>	16.8
Completeness [%]	98.6 *	82.3 *
Redundancy	4.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *	298	PEG 8000, SODIUM ACETATE, MES, ADP, ALUMINUM NITRATE, SODIUM FLUORIDE, MAGNESIUM ACETATE, GLUCOSE, pH 6.5, EVAPORATION, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	20 (mg/ml)
2	1	2	PEG8000	14-18 (%)
3	1	2	MES	100 (mM)
4	1	2	sodium acetate	150-250 (mM)
5	1	2	ADP	20 (mM)