1HF6

ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE ORTHORHOMBIC CRYSTAL FORM IN COMPLEX WITH CELLOTRIOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	54.605, 69.449, 77.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.150
R-factor	0.115
Rwork	0.114
R-free	0.13700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a3h
RMSD bond length	0.022 *
RMSD bond angle	2.050 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.190
High resolution limit [Å]	1.150	1.150
Rmerge	0.053	0.307
Number of reflections	102353
<I/σ(I)>	24.8	3.9
Completeness [%]	98.9	93
Redundancy	4.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5 *		Davies, G.J., (1998) Biochemistry, 37, 1926. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.8-1.2 (M)
2	1	reservoir	glycerol	15 (%(v/v))