1H14

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	51.087, 90.891, 98.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.500
R-factor	0.145
Rwork	0.143
R-free	0.17070 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WILD TYPE
RMSD bond length	0.029
RMSD bond angle	2.169 *
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	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.064	0.267
Total number of observations	479600 *
Number of reflections	74080
<I/σ(I)>	16.21	2.57
Completeness [%]	99.7	95.3
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