6SE9

Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in shallow mode

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-16
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.918400
Spacegroup name	P 31 2 1
Unit cell lengths	138.902, 138.902, 127.875
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.039 - 1.965
R-factor	0.2027
Rwork	0.202
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6etz
RMSD bond length	0.003
RMSD bond angle	0.602
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.039	47.039	2.080
High resolution limit [Å]	1.960	5.850	1.960
Rmerge	0.107	0.030	2.172
Rmeas	0.113	0.031	2.286
Total number of observations	1020829
Number of reflections	100927	4059	15755
<I/σ(I)>	14.43	64.25	1
Completeness [%]	99.5	99.7	97.2
Redundancy	10.115	9.473	10.285
CC(1/2)	0.999	1.000	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	/psfhome/maria/data/441_lac_fru 35% Tacsimate pH 7.0