5EFF

Crystal structure of an aromatic mutant (F4A) 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	2013-05-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.620, 67.710, 181.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.770 - 2.230
R-factor	0.1815
Rwork	0.178
R-free	0.24020
RMSD bond length	0.014
RMSD bond angle	1.593
Data reduction software	SCALA
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.770	18.146	2.330
High resolution limit [Å]	2.227	7.000	2.210
Rmerge		0.068	0.196
Rmeas	0.103
Rpim	0.033	0.024	0.065
Total number of observations	289522	10025	30296
Number of reflections	31730
<I/σ(I)>	17.4	22.9	10.9
Completeness [%]	95.5	94.4	77.4
Redundancy	9.1	9	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M NaCl, 0.14M MgCl2, 0.05M Tris HCl pH 8.5, 15% PEG 8000