1H12

Structure of a cold-adapted family 8 xylanase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	50.972, 90.734, 97.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.200
R-factor	0.108
Rwork	0.107
R-free	0.13020 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WILD TYPE WITHOUT LIGAND
RMSD bond length	0.022 *
RMSD bond angle	1.586 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.032	0.235
Total number of observations	1757738 *
Number of reflections	141707
<I/σ(I)>	43.52	3.69
Completeness [%]	99.4	91.9
Redundancy	5	2.5

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