3W24

The high-resolution crystal structure of TsXylA, intracellular xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485

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	76.944, 118.781, 45.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.630 - 1.350
Rwork	0.175
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q8x
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	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.062	0.481
Number of reflections	90031
<I/σ(I)>	21.8	3.8
Completeness [%]	97.6	100
Redundancy	3.6	3.6

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