6G0N

Crystal Structure of a GH8 catalytic mutant xylohexaose complex xylanase from Teredinibacter turnerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	60.973, 79.694, 88.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.140 - 1.800
R-factor	0.17049
Rwork	0.169
R-free	0.19899
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.501
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.970	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	40046
<I/σ(I)>	8.2
Completeness [%]	99.0
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	291	0.1 M HEPES pH 6.8, 0.2 M ammonium sulfate, 20% PEG 6000