6Y6S

Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 6.8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	248.721, 248.721, 77.326
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.070 - 2.100
R-factor	0.1653
Rwork	0.163
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zr5
RMSD bond length	0.007
RMSD bond angle	0.842
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.360	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.153
Number of reflections	53072	2623
<I/σ(I)>	8.2
Completeness [%]	100.0
Redundancy	10
CC(1/2)	0.997	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium acetate, 0.1 M sodium cacodylate (pH 6.8), and 34% wt/vol polyethylene glycol 8000