1B3Y

XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTETRAOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	81.340, 81.340, 113.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.450
R-factor	0.191 *
Rwork	0.191
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bg4
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.500
High resolution limit [Å]	2.450	2.450
Rmerge	0.116 *	0.357 *
Number of reflections	16297
<I/σ(I)>	2	1
Completeness [%]	99.6	95.6
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.4	4 *	PROTEIN WAS CRYSTALLIZED FROM 1.9M (NH4)2SO4, 0.1M TRISHCL PH 8.4 AT 4 C

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3-6 (mg/ml)
2	1	reservoir	ammonium sulfate	1.9 (M)
3	1	reservoir	Tris-HCl	0.1 (M)