1H1N

Atomic resolution structure of the major endoglucanase from Thermoascus aurantiacus

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
Spacegroup name	P 21 21 21
Unit cell lengths	75.764, 84.728, 89.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.120
R-factor	0.1437
R-free	0.17100
Structure solution method	SIR
RMSD bond length	0.015
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.140
High resolution limit [Å]	1.120	1.120
Rmerge	0.086	0.438 *
Total number of observations	2988510 *
Number of reflections	232102
<I/σ(I)>	34.29	2.57
Completeness [%]	98.9	97.6
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	8.5		Bhat, M.K., (2001) American Chemical Society, Washington DC, 204. *