3CUF

Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with cellobiose-like isofagomine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-06-01
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	85.668, 85.668, 79.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.630 - 1.670
R-factor	0.158
Rwork	0.156
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2exo
RMSD bond length	0.013
RMSD bond angle	1.332
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.700
High resolution limit [Å]	1.660	4.090	1.660
Rmerge	0.052	0.033	0.268
Number of reflections	35544
<I/σ(I)>	13
Completeness [%]	99.0	99.3	85.5
Redundancy	12

Crystallization Conditions

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