5XC0

Crystal structure of an aromatic mutant (W6A) of an alkali thermostable GH10 Xylanase from Bacillus sp. NG-27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-04-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.229, 67.390, 177.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.960 - 2.320
R-factor	0.204
Rwork	0.202
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f8q
RMSD bond length	0.012
RMSD bond angle	1.398
Data reduction software	SCALA
Data scaling software	SCALA (0.5.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.960	2.400
High resolution limit [Å]	2.320	2.320
Rmerge	0.140	0.452
Rmeas	0.155	0.499
Rpim	0.065	0.207
Total number of observations	145366
Number of reflections	27367
<I/σ(I)>	9.2
Completeness [%]	97.7	93
Redundancy	5.3	5.5
CC(1/2)	0.989	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M NaCl, 0.16M MgCl2, 0.05M Tris HCl pH 8.5, 20% PEG 8000