5IFT

STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 3-b-Galactopyranosyl glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	87.134, 111.641, 125.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.500 - 2.450
R-factor	0.15189
Rwork	0.150
R-free	0.19320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ifp
RMSD bond length	0.007
RMSD bond angle	1.338
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	MOLREP (11.4.04)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.500	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.176	0.528
Number of reflections	44772
<I/σ(I)>	8.1	3.6
Completeness [%]	97.6	100
Redundancy	6.7	6.8
CC(1/2)	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	24% (W/V) PEG 3350, 0.1M BIS-TRIS BUFFER PH 6.0 , 0.2M LITHIUM SULPHATE, then soacked in 30mM 3-O-beta-D-Galactopyranosyl-D-glucose