1H5V

Thiopentasaccharide complex of the endoglucanase Cel5A from Bacillus agaradharens at 1.1 A resolution in the tetragonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-15
Spacegroup name	P 43 21 2
Unit cell lengths	75.169, 75.169, 135.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.100
R-factor	0.12 *
Rwork	0.120
R-free	0.13800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qhz
RMSD bond length	0.017 *
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.055	0.288
Number of reflections	155682
<I/σ(I)>	20.6	4.2
Completeness [%]	99.5	98.7
Redundancy	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7		PROTEIN (20MGML-1) WAS CRYSTALLISED FROM 28% PEG400 AS PRECIPITANT, 100MM HEPES AT PH 7.0 AS BUFFER AND 200 MM CACL2. THE PROTEIN WAS INCUBATED WITH THE 1MM OF SUBSTRATE FOR AN HOUR PRIOR TO COCRYSTALLISATIOM

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	28-30 (%(v/v))
2	1	reservoir	tri-ethanolamine	100 (mM)	or HEPES pH7.0
3	1	reservoir		200 (mM)