1H4G

Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	120
Spacegroup name	P 21 21 21
Unit cell lengths	72.061, 75.098, 78.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.100
R-factor	0.158 *
Rwork	0.158
R-free	0.18000 *
Structure solution method	OTHER
RMSD bond length	0.016 *
RMSD bond angle	0.039 *
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.055 *	0.710 *
Number of reflections	171783
<I/σ(I)>	17.6	2
Completeness [%]	99.9 *	99
Redundancy	4.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		DROP: 2UL PROTEIN (10 MG ML-1 IN 100MM SODIUM ACETATE) PLUS 1UL RESERVOIR RESERVOIR: 100 MM MES PH 6.5, 30% AMMONIUM SULPHATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sodium acetate	100 (mM)	pH6.0
3	1	reservoir	MES	100 (mM)
4	1	reservoir	ammonium sulfate	30 (%)	pH6.5
5	1	reservoir		100 (mM)