5A3H

2-DEOXY-2-FLURO-B-D-CELLOBIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.8 ANGSTROMS RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	54.710, 69.570, 77.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.820
R-factor	0.14 *
Rwork	0.144
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3h
RMSD bond length	0.012
RMSD bond angle	0.026
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	1.880
High resolution limit [Å]	1.820	1.820
Rmerge	0.061	0.260
Number of reflections	27156
<I/σ(I)>	16.5	4.6
Completeness [%]	99.7	99.2
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))