8A3H

Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Collection date	1998-10-15
Spacegroup name	P 21 21 21
Unit cell lengths	54.450, 69.880, 77.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 0.970
R-factor	0.1 *
Rwork	0.104
R-free	0.12000 *
Structure solution method	OTHER
RMSD bond length	0.017
RMSD bond angle	0.033
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.000
High resolution limit [Å]	0.970	0.970
Rmerge	0.032	0.321
Number of reflections	149215
<I/σ(I)>	44.7	3.2
Completeness [%]	93.0	54
Redundancy	5.4 *	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	5.5		Murshudov, G.N., (1997) Acta Cryst., D53, 240. *