5XFM

Crystal structure of beta-arabinopyranosidase

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	AREA DETECTOR
Collection date	2015-07-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	72.810, 90.510, 128.550
Unit cell angles	105.50, 94.80, 96.15

Refinement procedure

Resolution	45.780 - 2.300
R-factor	0.2089
Rwork	0.207
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a24
RMSD bond length	0.005
RMSD bond angle	1.027
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.150	0.471
Number of reflections	125374	8292
<I/σ(I)>	6.6	2.7
Completeness [%]	90.0	80.4
Redundancy	3.2	3.2
CC(1/2)	0.985	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	45 % (v/v) MPD, 0.2 M Lithium sulfate, 0.1 M MES-NaOH (pH 6.0)