5O80

Crystal Structure of R67A Mutant of alpha-L-arabinofuranosidase Ara51 from Clostridium thermocellum in complex with L-Arabinofuranose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	173.740, 173.740, 271.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 2.915
R-factor	0.1824
Rwork	0.179
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c7f
RMSD bond length	0.009
RMSD bond angle	1.184
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.760	48.760	3.090
High resolution limit [Å]	2.910	8.620	2.910
Rmerge	0.116	0.060	0.616
Rmeas	0.121	0.064	0.645
Number of reflections	90750	3796	14334
<I/σ(I)>	16.35	36.14	3.87
Completeness [%]	99.8	99.1	99.2
Redundancy	11.266	10.16	11.47
CC(1/2)	0.998	0.998	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1-4 dioxane, Na Cacodylate pH 6.5, sodium acetate