1EHA

CRYSTAL STRUCTURE OF GLYCOSYLTREHALOSE TREHALOHYDROLASE FROM SULFOLOBUS SOLFATARICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	282
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 32 2 1
Unit cell lengths	80.366, 80.366, 281.998
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.000
R-factor	0.226 *
R-free	0.28500 *
Structure solution method	Isomorphous Replacement
Starting model (for MR)	1eh9
RMSD bond length	0.006 *
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.900	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.117	0.666
Total number of observations	93107 *
Number of reflections	21534
<I/σ(I)>	11.6	1.4
Completeness [%]	93.0	73
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	0.6-1.1 M sodium citrate 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 282K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-20 (mg/ml)
2	1	drop	sodium citrate	0.6-1.1 (M)
3	1	drop	HEPES	0.1 (M)