1T6E

Crystal Structure of the Triticum aestivum xylanase inhibitor I

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	2002-05-24
Detector	MARRESEARCH
Wavelength(s)	0.811
Spacegroup name	P 21 21 21
Unit cell lengths	50.259, 66.722, 106.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.18535
Rwork	0.182
R-free	0.21391
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.460
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	35394
Completeness [%]		99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.15 M ammonium sulphate, 0.1 M sodium acetate buffer, 23 % PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K