5O81

Crystal Structure of R67A/E173A Mutant of alpha-L-arabinofuranosidase Ara51 from Clostridium thermocellum

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	173.070, 173.070, 271.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.667 - 2.500
R-factor	0.1957
Rwork	0.193
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c7f
RMSD bond length	0.010
RMSD bond angle	1.154
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.667	48.667	2.650
High resolution limit [Å]	2.500	7.420	2.500
Rmerge	0.100	0.029	0.861
Rmeas	0.104	0.031	0.896
Number of reflections	142438	5861	22405
<I/σ(I)>	21.7	69.55	2.94
Completeness [%]	99.8	99.4	98.6
Redundancy	13.279	11.916	13.125
CC(1/2)	0.999	1.000	0.623

Crystallization Conditions

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