6TOW

Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylotetraose.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	P 31 2 1
Unit cell lengths	84.573, 84.573, 274.597
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.980 - 2.050
R-factor	0.2374
Rwork	0.236
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6srd
RMSD bond length	0.007
RMSD bond angle	1.447
Data reduction software	XDS
Data scaling software	Aimless (7.0.029)
Phasing software	MOLREP (7.0.029)
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.980	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.093	0.642
Rmeas	0.100	0.695
Rpim	0.038	0.264
Number of reflections	72614	4419
<I/σ(I)>	12.2	2.9
Completeness [%]	100.0	100
Redundancy	6.6	6.7
CC(1/2)	0.998	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	18% PEG 3350, 0.2M Potassium thiocyanate, 0.1M Bis-Tris propane pH 7.5. Microseeding. Co-crystallization with 50-100mM xylotetraose.