1B3X

XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTRIOSE

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	81.762, 81.762, 113.536
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.188 *
Rwork	0.188
R-free	0.24000
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	2.230
High resolution limit [Å]	2.200	2.200
Rmerge	0.058 *	0.171 *
Number of reflections	22435
<I/σ(I)>	5	2
Completeness [%]	98.5	96.3
Redundancy	5	5

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, temperature 277.0K

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)