3AKI

Crystal structure of exo-1,5-alpha-L-arabinofuranosidase complexed with alpha-L-arabinofuranosyl azido

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-15
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	41.026, 89.719, 135.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.790 - 2.000
R-factor	0.19482
Rwork	0.193
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3akh
RMSD bond length	0.010
RMSD bond angle	1.216
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.790	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.074	0.281
Number of reflections	34964
<I/σ(I)>	38.1	7.5
Completeness [%]	99.7	99.3
Redundancy	8.8	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.8M sodium citrate, 0.2M sodium chloride, 0.1M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K