1GA2

THE CRYSTAL STRUCTURE OF ENDOGLUCANASE 9G FROM CLOSTRIDIUM CELLULOLYTICUM COMPLEXED WITH CELLOBIOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-15
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	56.850, 57.670, 86.580
Unit cell angles	93.82, 100.86, 99.46

Refinement procedure

Resolution	45.000 * - 1.700
R-factor	0.17
Rwork	0.170
R-free	0.19700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1g87
RMSD bond length	0.012 *
RMSD bond angle	23.500 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000 *	1.680
High resolution limit [Å]	1.700	1.640
Rmerge	0.042 *	0.337 *
Number of reflections	104781 *
<I/σ(I)>	21.2	1.9
Completeness [%]	90.0 *	70 *
Redundancy	3.0 *	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4 *	17 *	PEG 4000, Tris, Mg Acetate, Isopropanol, Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	25 (%)
2	1	reservoir	Tris-HCl	100 (mM)	pH8.4
3	1	reservoir	magnesium acetate	100 (mM)
4	1	reservoir	isopropanol	5 (%)
5	1	reservoir	glycerol	15 (%)
6	1	drop	protein	6.25 (mg/ml)