1QI0

ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH CELLOBIOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1998-05-01
Detector	RIGAKU RAXIS II
Spacegroup name	P 43 21 2
Unit cell lengths	74.710, 74.710, 136.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.168
Rwork	0.172
R-free	0.21000
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	0.023
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.094	0.298
Number of reflections	23002
<I/σ(I)>	17.2	5.9
Completeness [%]	99.4	100
Redundancy	5.5	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	100 *	PROTEIN (20MGML-1) WAS CRYSTALLISED FROM 28% PEG400 AS PRECIPITANT, 100MM TRIETHANOLAMINE AT PH 7.0 AS BUFFER AND 200 MM CACL2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	28 (%)
2	1	reservoir	triehanolamine	100 (mM)
3	1	reservoir	calcium chloride	200 (mM)