1F5J

CRYSTAL STRUCTURE OF XYNB, A HIGHLY THERMOSTABLE BETA-1,4-XYLANASE FROM DICTYOGLOMUS THERMOPHILUM RT46B.1, AT 1.8 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1998-12-17
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	91.290, 91.290, 44.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 1.800
R-factor	0.185
Rwork	0.185
R-free	0.22200
RMSD bond length	0.005
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.880
High resolution limit [Å]	1.800	1.800
Rmerge	0.089	0.307
Total number of observations	207114 *
Number of reflections	34109
<I/σ(I)>	13
Completeness [%]	98.6	97
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	1.5-1.6 M ammonium sulphate, 0.2 M HEPES, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	ammonium sulfate	1.5-1.6 (M)
3	1	drop	HEPES	0.2 (M)
4	1	drop	glycerol	10 (%)