3NDZ

The structure of the catalytic and carbohydrate binding domain of endoglucanase D from Clostridium cellulovorans bound to cellotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	85.297, 119.050, 198.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.697 - 2.080
R-factor	0.146
Rwork	0.144
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.130
High resolution limit [Å]	2.080	5.130	2.080
Rmerge	0.091	0.035	0.373
Number of reflections	113880
<I/σ(I)>	8.5
Completeness [%]	93.3	99.3	83
Redundancy	4.1	4.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	27% Polyethylene glycol 3350, and 0.1 M BisTris pH 5.5. Cryoprotected with 29% Polyethylene glycol 3350, 5% ethylene glycol, 300mM cellotriose, 0.1 M BisTris pH 5.5, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP