1T6G

Crystal structure of the Triticum aestivum xylanase inhibitor-I in complex with aspergillus niger xylanase-I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 32
Unit cell lengths	88.434, 88.434, 128.995
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.740 - 1.800
R-factor	0.16161
Rwork	0.158
R-free	0.19171
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t6e 1ukr
RMSD bond length	0.010
RMSD bond angle	1.364
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.740	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	93187
Completeness [%]	89.1	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.25 M magnesium acetate 0.1 M sodium cacodylate buffer, 17% PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K