2HIS

CELLULOMONAS FIMI XYLANASE/CELLULASE DOUBLE MUTANT E127A/H205N WITH COVALENT CELLOBIOSE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1997-01
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 41 21 2
Unit cell lengths	88.411, 88.411, 80.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.840
R-factor	0.22
Rwork	0.220
R-free	0.28000
Structure solution method	MOLECULAR SUBSTITUTION
Starting model (for MR)	2exo
RMSD bond length	0.011
RMSD bond angle	23.250 *
Data reduction software	SDMS (DETECTOR SYSTEM (NIELSEN))
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.810
High resolution limit [Å]	1.740	1.740
Rmerge	0.068 *	0.361 *
Total number of observations	255846 *
Number of reflections	32211	5297 *
<I/σ(I)>	16.19	2.01
Completeness [%]	96.1	80.4
Redundancy	4.7	4.41

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)