3WUB

The wild type crystal structure of b-1,4-Xylanase (XynAS9) from Streptomyces sp. 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 65 2 2
Unit cell lengths	80.910, 80.910, 289.302
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.080
Rwork	0.196
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wug
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	2.150
High resolution limit [Å]	2.080	2.080
Rmerge	0.079	0.331
Number of reflections	34597
<I/σ(I)>	47.1	9.2
Completeness [%]	99.3	99.1
Redundancy	16.3	17.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.5M zinc acetate dehydrate, 0.1M sodium cacodylate trihydrate pH 6.5, 8% (w/v) polyethylene glycol 8000, VAPOR DIFFUSION, SITTING DROP, temperature 298K