1G87

THE CRYSTAL STRUCTURE OF ENDOGLUCANASE 9G FROM CLOSTRIDIUM CELLULOLYTICUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-09-07
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	56.850, 57.720, 86.270
Unit cell angles	94.22, 100.87, 99.61

Refinement procedure

Resolution	30.000 * - 1.600
R-factor	0.174
Rwork	0.174
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1js4
RMSD bond length	0.010
RMSD bond angle	23.500 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.058 *	0.451 *
Number of reflections	135088
<I/σ(I)>	14	1.6
Completeness [%]	97.0	95.1
Redundancy	2.1	2.1

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)