5JUV

STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose

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	2014-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	58.100, 106.393, 83.723
Unit cell angles	90.00, 99.18, 90.00

Refinement procedure

Resolution	82.650 - 2.270
R-factor	0.18132
Rwork	0.179
R-free	0.23204
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ifp
RMSD bond length	0.008
RMSD bond angle	1.310
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	MOLREP (11.4.04)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.650	2.340
High resolution limit [Å]	2.270	2.270
Rmerge	0.157	0.584
Number of reflections	46487
<I/σ(I)>	8.4	3.3
Completeness [%]	99.9	99.9
Redundancy	6.8	6.6
CC(1/2)	0.990

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 6-O-beta-D-Galactopyranosyl-D-galactose, and cryoprotected with 20% (W/V) PEG 400