2XYL

CELLULOMONAS FIMI XYLANASE/CELLULASE COMPLEXED WITH 2-DEOXY-2-FLUORO-XYLOBIOSE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1996-04
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 41 21 2
Unit cell lengths	88.180, 88.180, 81.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
R-factor	0.212
Rwork	0.212
R-free	0.26000
Structure solution method	MOLECULAR SUBSTITUTION
Starting model (for MR)	2exo
RMSD bond length	0.005
RMSD bond angle	22.800 *
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.050
High resolution limit [Å]	1.900	1.900
Rmerge	0.080 *	0.270 *
Total number of observations	197626 *
Number of reflections	25857	5050 *
<I/σ(I)>	16.19	3.58
Completeness [%]	99.9	99.9
Redundancy	7.64	5.06

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		Bedarkar, S., (1992) J.Mol. Biol, 228, 693. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Cex	65 (mg/ml)	in water
2	1	drop	PEG4000	7.5-10 (%)
3	1	drop	sodium acetate	0.1 (M)
4	1	reservoir	PEG4000	7.5-10 (%)
5	1	reservoir	sodium acetate	0.1 (M)