5MGD

STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose

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	2016-03-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.127140
Spacegroup name	P 1 21 1
Unit cell lengths	58.285, 105.873, 83.715
Unit cell angles	90.00, 99.24, 90.00

Refinement procedure

Resolution	82.630 - 2.150
R-factor	0.19273
Rwork	0.191
R-free	0.22741
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ifp
RMSD bond length	0.009
RMSD bond angle	1.408
Data reduction software	XDS
Data scaling software	Aimless (0.2.8.)
Phasing software	MOLREP (11.4.04)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.630	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.135	0.596
Number of reflections	54536
<I/σ(I)>	11.1	4.2
Completeness [%]	100.0	99.8
Redundancy	6.8	6.5
CC(1/2)	0.995	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	26% (W/V) PEG 3350, 0.1M BIS-TRIS BUFFER pH 6.5, 0.2M LITHIUM SULPHATE, then soaked in 30mM 6-Galactosyl-lactose, and cryoprotected with 20% (W/V) PEG 400.