2BVV

SUGAR RING DISTORTION IN THE GLYCOSYL-ENZYME INTERMEDIATE OF A FAMILY G/11 XYLANASE.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	44.000, 52.750, 78.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.188 *
Rwork	0.188
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	1.155
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000
High resolution limit [Å]	1.500	1.500 *
Rmerge	0.064	0.199 *
Total number of observations	128221 *
Number of reflections	30126
<I/σ(I)>	16.2
Completeness [%]	92.7
Redundancy	4.3

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	15 (mg/ml)
2	1	reservoir	ammonium sulfate	17 (%)
3	1	reservoir		10 (mM)
4	1	reservoir	Tris-HCl	40 (mM)