3CUG

Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with cellotetraose-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	85.722, 85.722, 79.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 1.680
R-factor	0.147
Rwork	0.146
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	EXO
RMSD bond length	0.013
RMSD bond angle	1.323
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	1.720
High resolution limit [Å]	1.680	4.140	1.680
Rmerge	0.045	0.031	0.229
Number of reflections	34228
<I/σ(I)>	25.2
Completeness [%]	100.0	99.9	100
Redundancy	14

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