1UA4

Crystal Structure of an ADP-dependent Glucokinase from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Detector technology	CCD
Wavelength(s)	1.00
Spacegroup name	I 2 2 2
Unit cell lengths	112.677, 88.948, 103.355
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.900 * - 1.900
R-factor	0.168
Rwork	0.168
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005 *
RMSD bond angle	1.200 *
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.900	1.900 *
Rmerge	0.060 *	0.230 *
Total number of observations	167801 *
Number of reflections	41349
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5	25 *	citrate, DTT, glucose, AMP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	ADP-beta-S	6 (mM)
3	1	drop	glucose	30 (mM)
4	1	reservoir	citrate	1.6 (M)	pH6.5
5	1	reservoir	dithiothreitol	10 (mM)