6A3H

2-DEOXY-2-FLURO-B-D-CELLOTRIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.6 ANGSTROM RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	55.280, 69.700, 76.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.680
R-factor	0.15 *
Rwork	0.150
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3h
RMSD bond length	0.007
RMSD bond angle	0.022
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.740
High resolution limit [Å]	1.650	1.680
Rmerge	0.057	0.317
Number of reflections	34744
<I/σ(I)>	23.9	4.6
Completeness [%]	99.9	98.3
Redundancy	4.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5 *		Davies, G.J., (1998) Biochemistry, 37, 1926. *

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))