3NIY

Crystal structure of native xylanase 10B from Thermotoga petrophila RKU-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458
Spacegroup name	P 1
Unit cell lengths	58.538, 58.554, 61.579
Unit cell angles	84.54, 70.82, 68.87

Refinement procedure

Resolution	31.240 - 1.580
R-factor	0.1598
Rwork	0.158
R-free	0.19551
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.030
RMSD bond angle	2.415
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.240	1.640
High resolution limit [Å]	1.580	1.580
Rmerge	0.101
Number of reflections	91930
Completeness [%]	92.8	86.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.3	291	PEG8000 glycerol sodium acetate litium sulfate, pH 4.3, VAPOR DIFFUSION, SITTING DROP, temperature 291K