5O7Z

Crystal Structure of R67A 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	2013-03-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	173.750, 173.750, 272.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.813 - 2.640
R-factor	0.1942
Rwork	0.193
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c7f
RMSD bond length	0.008
RMSD bond angle	1.231
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]	48.813	48.813	2.800
High resolution limit [Å]	2.640	7.830	2.640
Rmerge	0.107	0.063	0.604
Rmeas	0.117	0.069	0.660
Number of reflections	122138	4998	19409
<I/σ(I)>	11.32	24.68	2.69
Completeness [%]	99.8	98.2	99.5
Redundancy	6.036	5.567	6.168
CC(1/2)	0.995	0.995	0.836

Crystallization Conditions

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