2RFY

Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	50.920, 94.660, 189.960
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.185
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.026
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	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	197103
<I/σ(I)>	14.9	4.8
Completeness [%]	99.7	99.9
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