2RG0

Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellotetraose

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
Detector technology	CCD
Collection date	2006-10-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.8162
Spacegroup name	P 1 21 1
Unit cell lengths	50.980, 94.810, 190.430
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.211
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.021
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	105275
<I/σ(I)>	7.6	3.1
Completeness [%]	99.5	97.9
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	12% PEG8000, 0.1M calcium chloride, 0.1M cacodylate, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K