5O82

Crystal Structure of R67A/E173A Mutant of alpha-L-arabinofuranosidase Ara51 from Clostridium thermocellum in complex with 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	2012-04-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	170.550, 170.550, 265.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.849 - 2.393
R-factor	0.1895
Rwork	0.187
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c7f
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	SCALA (3.3.2)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	143.546	48.647	2.520
High resolution limit [Å]	2.393	7.570	2.393
Rmerge		0.046	0.652
Rmeas	0.090	0.048	0.677
Rpim	0.025	0.014	0.181
Number of reflections	153754
<I/σ(I)>	20.3	11.3	1.2
Completeness [%]	99.8	99.6	98.6
Redundancy	13.4	12	13.6

Crystallization Conditions

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