5IHR

STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH ALLOLACTOSE

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	2015-04-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	85.144, 111.406, 125.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.420 - 2.400
R-factor	0.16432
Rwork	0.162
R-free	0.20044
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ifp
RMSD bond length	0.007
RMSD bond angle	1.211
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]	83.420	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.138	0.579
Number of reflections	47163
<I/σ(I)>	12.4	4.9
Completeness [%]	99.5	99.9
Redundancy	6.8	6.9
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	23% (W/V) PEG 3350, 0.1M BIS-TRIS BUFFER PH 5.5 , 0.2M LITHIUM SULPHATE, then soaked in 30 mM allolactose