6SUD

Structure of L320A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylose.

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	2016-04-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979490
Spacegroup name	P 1
Unit cell lengths	51.514, 59.172, 79.412
Unit cell angles	87.83, 78.35, 74.61

Refinement procedure

Resolution	57.110 - 1.740
R-factor	0.2438
Rwork	0.242
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wu4
RMSD bond length	0.006
RMSD bond angle	1.461
Data reduction software	XDS
Data scaling software	Aimless (7.0.012)
Phasing software	MOLREP (7.0.012)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.110	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.098	0.628
Rmeas	0.119	0.759
Rpim	0.067	0.423
Number of reflections	87761	4448
<I/σ(I)>	7.1	2.1
Completeness [%]	96.6	95
Redundancy	3	3.1
CC(1/2)	0.987	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	22% PEG 6000, 0.1 M HEPES pH 7, 0.2 M MgCl2, 6% glycerol, 0.01 M Hexammine cobalt (III) chloride. Microseeding. Soaking: 50 mM xylose, 100 mM arabinose. Cryoprotectant solution: mother liquor plus 20% ethylene glycol