2NQY

Crystal structure of alkaline thermophlic xylanase from Bacillus sp. (NCL 86-6-10) with complex xylotriose: Xylotriose cleaved to xylobiose and xylose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2006-03-31
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.363, 78.363, 140.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.500 - 2.400
R-factor	0.19443
Rwork	0.192
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h4g
RMSD bond length	0.012
RMSD bond angle	1.380
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.520	30.000
High resolution limit [Å]	2.400	2.400
Rmerge	0.052	0.052
Number of reflections	17873
<I/σ(I)>	32.11	32.11
Completeness [%]	99.8	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	40% Isopropanol, 0.4M Sodium citrate, 0.1M Sodium cacodylate buffer, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K