6FOF

Crystal structure of a crystallized variant of h-Gal3: Gal-3[NTS/VII-IX]

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	2016-05-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	93.851, 98.195, 237.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.100 - 2.200
Rwork	0.213
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3k
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.100	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.134	1.233
Number of reflections	112248	16179
<I/σ(I)>	11.7	1.8
Completeness [%]	100.0	100
Redundancy	9	9.1
CC(1/2)	0.997	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	18% PEG 8K, 100 mM Tris-HCl (pH 8.5), 200 mM lithium sulfate