6SE8

Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976250
Spacegroup name	P 31 2 1
Unit cell lengths	136.859, 136.859, 127.082
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.563 - 1.835
R-factor	0.135
Rwork	0.135
R-free	0.16470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6etz
RMSD bond length	0.008
RMSD bond angle	0.964
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]	46.563	46.563	1.950
High resolution limit [Å]	1.835	5.470	1.840
Rmerge	0.081	0.059	0.594
Rmeas	0.086	0.063	0.645
Number of reflections	118383	4751	17780
<I/σ(I)>	13.94	32.59	2.12
Completeness [%]	98.8	99.6	92.5
Redundancy	7.745	7.579	6.327
CC(1/2)	0.998	0.996	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	30% Tacsimate pH 7.0