6ZJR

Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E517Q in complex with lactulose

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	2019-01-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9814
Spacegroup name	P 31 2 1
Unit cell lengths	137.427, 137.427, 127.253
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.686 - 2.000
R-factor	0.184
Rwork	0.183
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6etz
RMSD bond length	0.006
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]	46.686	46.686	2.120
High resolution limit [Å]	1.998	5.950	2.000
Rmerge	0.148	0.033	2.438
Rmeas	0.156	0.035	2.577
Number of reflections	94041	3786	14819
<I/σ(I)>	12.54	57.48	0.78
Completeness [%]	99.7	99.7	98.4
Redundancy	10.019	9.703	9.494
CC(1/2)	0.999	0.999	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	273	37% TacsimateTM pH 8.0