9AXG

Human saposin B in the presence of globotriaosylceramide-NBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 64
Unit cell lengths	66.908, 66.908, 87.181
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.830 - 2.680
R-factor	0.2478
Rwork	0.244
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.962
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.830	2.776
High resolution limit [Å]	2.680	2.680
Rmerge	0.043	0.368
Number of reflections	6246	609
<I/σ(I)>	27.07	1.51
Completeness [%]	99.7	100
Redundancy	9.7
CC(1/2)	0.998	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	500 nL of protein-lipid complex (0.82 mM SapB plus 0.87 mM Gb3-NBD) was mixed with 250 nL of reservoir solution (3.1-3.3 M malonate pH 5) and equilibrated against 70 uL reservoirs at 20 C.