1BDG

HEXOKINASE FROM SCHISTOSOMA MANSONI COMPLEXED WITH GLUCOSE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	153
Detector technology	IMAGE PLATE
Collection date	1996-11
Detector	RIGAKU RAXIS II
Spacegroup name	P 61 2 2
Unit cell lengths	114.300, 114.300, 155.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.173
Rwork	0.173
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1HKG AND YHK PI MUTANT P152K COMPLEX WITH GLC PROVIDED BY H. BARTUNIK
RMSD bond length	0.010
RMSD bond angle	22.700 *
Data reduction software	R-AXIS
Data scaling software	R-AXIS
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.800
High resolution limit [Å]	2.600	2.600
Rmerge	0.076 *	0.330
Total number of observations	113216 *
Number of reflections	19765
<I/σ(I)>	38	9
Completeness [%]	93.0	86 *
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	1.9-2.0 (M)
3	1	reservoir	G6P	2 (mM)
4	1	reservoir	PEG400	2.4 (%)
5	1	reservoir	HEPES	100 (mM)