6SRD

Structure 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	2015-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.041910
Spacegroup name	P 1
Unit cell lengths	51.566, 59.153, 79.534
Unit cell angles	87.83, 77.98, 74.33

Refinement procedure

Resolution	48.630 - 1.930
R-factor	0.1909
Rwork	0.189
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wu4
RMSD bond length	0.005
RMSD bond angle	1.418
Data reduction software	XDS
Data scaling software	Aimless (7.0.042)
Phasing software	MOLREP (7.0.042)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.125	0.723
Rmeas	0.148	0.879
Rpim	0.078	0.489
Number of reflections	64154	4213
<I/σ(I)>	7.2	2
Completeness [%]	96.4	93.2
Redundancy	3.5	3.1
CC(1/2)	0.992	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	23% PEG 6K, 0.1 M Tris pH 8.0, 0.2 M NaCl, 0.01 M Hexammine cobalt (III) chrloride. Soaking experiment in the precipitant solution supplemented with 50 mM xylose. Cryoprotectan solution consisting of mother liquor plus 25% (v/v) glycerol.