1J01

Crystal Structure Of The Xylanase Cex With Xylobiose-Derived Inhibitor Isofagomine lactam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-10-01
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	86.996, 86.996, 80.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 - 2.000
R-factor	0.21
Rwork	0.209
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.057 *
Total number of observations	258208 *
Number of reflections	21259 *
Completeness [%]	99.0 *	85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.6	298	PEG4000, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		0.1 (M)	pH4.6
2	1	1	PEG4000	16 (%)