2O7I

The X-ray crystal structure of a thermophilic cellobiose binding protein bound with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-06
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	107.030, 107.030, 118.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.740 - 1.500
R-factor	0.193
Rwork	0.192
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vr5
RMSD bond length	0.007
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.600
High resolution limit [Å]	1.500	6.000	1.500
Rmerge	0.062	0.023	0.578
Number of reflections	109675
<I/σ(I)>	18.8	61.6	3
Completeness [%]	99.9	100	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.1M MES, 0.2M Ammonium Sulfate, 30% PEG MME 5000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K