6SEA

Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in deep 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 PILATUS 2M
Wavelength(s)	0.918400
Spacegroup name	P 31 2 1
Unit cell lengths	138.613, 138.613, 127.347
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.889 - 1.869
R-factor	0.182
Rwork	0.181
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6etz
RMSD bond length	0.010
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.889	46.889	1.980
High resolution limit [Å]	1.869	5.570	1.870
Rmerge	0.097	0.035	2.193
Rmeas	0.102	0.037	2.313
Number of reflections	116682	4643	18623
<I/σ(I)>	13.06	52.9	0.86
Completeness [%]	99.9	99.8	99.3
Redundancy	9.701	9.023	9.907
CC(1/2)	0.999	0.999	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	35% Tacsimate pH 7.0