6TRH

Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-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	2019-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	C 2 2 21
Unit cell lengths	82.295, 82.720, 465.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.620 - 1.860
R-factor	0.2398
Rwork	0.238
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6srd
RMSD bond length	0.006
RMSD bond angle	1.417
Data reduction software	XDS (0.84)
Data scaling software	Aimless (7.0.077)
Phasing software	MOLREP (7.0.077)
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.620	1.890
High resolution limit [Å]	1.850	1.860
Rmerge	0.153	0.658
Rmeas	0.162	0.768
Rpim	0.052	0.377
Number of reflections	129847	5330
<I/σ(I)>	8	1
Completeness [%]	97.2	80.7
Redundancy	7.4	3.2
CC(1/2)	0.992	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20% PEG 3350, 0.2M Potassium thiocyanate, 0.1M Bis Tris propane pH 7.5. Microseeding. Co-crystallization: 5 mM 3(3)-alpha-L-arabinofuranosyl-xylotetraose. Cryoprotectant: 25% Glycerol.