7P8H

chicken GRIFIN bound to blood group tetrasaccharide B (type 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 2 21 21
Unit cell lengths	39.104, 70.554, 87.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.850 - 1.130
R-factor	0.1546
Rwork	0.153
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nmj
RMSD bond length	0.008
RMSD bond angle	1.089
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.850	1.170
High resolution limit [Å]	1.130	1.130
Rmerge	0.015	0.305
Rmeas	0.021	0.431
Number of reflections	90857	8884
<I/σ(I)>	22	2
Completeness [%]	99.1
Redundancy	2
CC(1/2)	0.900	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	15 % w/v Polyethylene glycol 400; 100 mM MES pH 6.5