2A3H

CELLOBIOSE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHERANS AT 2.0 A RESOLUTION

Experimental procedure

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	1997-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	54.710, 69.570, 77.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.137 *
Rwork	0.137
R-free	0.19000
Structure solution method	ISOMORPHOUS WITH NATIVE STRUCTURE
RMSD bond length	0.012
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.090
High resolution limit [Å]	2.020	2.020
Rmerge	0.032	0.071
Number of reflections	19752
<I/σ(I)>	39.2	20.2
Completeness [%]	98.7	99.8
Redundancy	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5		pH 4.5

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))