3W28

The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E251A mutant with xylotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-06
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	77.365, 119.178, 45.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.390
Rwork	0.180
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w24
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.440
High resolution limit [Å]	1.390	1.390
Rmerge	0.084	0.487
Number of reflections	84274
<I/σ(I)>	25.4	3.8
Completeness [%]	99.8	97.5
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1M Tris, 25% PEG 6000, 0.8M LiCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K