1H13

Structure of a cold-adapted family 8 xylanase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	50.874, 90.509, 97.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.300
R-factor	0.12
Rwork	0.119
R-free	0.14630 *
Structure solution method	OTHER
RMSD bond length	0.022
RMSD bond angle	1.811
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.039	0.326
Number of reflections	111031
<I/σ(I)>	29.63	3.56
Completeness [%]	99.2	99.3
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5 *	277	Van Petegem, F., (2002) Acta Crystallogr., D58, 1494. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mg/ml)
2	1	reservoir	MPD	70 (%)
3	1	reservoir	sodium acetate	0.1 (M)	pH5.0