3VVG

The Crystal Structure of Cellulase-Inhibitor Complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	163.566, 58.433, 138.008
Unit cell angles	90.00, 109.01, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.22278
Rwork	0.220
R-free	0.28559
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.937
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall
Low resolution limit [Å]	130.190
High resolution limit [Å]	1.900
Rmerge	0.044
Number of reflections	95782
<I/σ(I)>	17
Completeness [%]	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.2M zinc acetate, 0.1M MES buffer pH6.0, 15%(v/v) ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K