8RXM

Galectin-3 in complex with thiogalactoside derivative

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8266
Spacegroup name	P 21 21 21
Unit cell lengths	35.960, 57.311, 62.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.158 - 1.100
Rwork	0.105
R-free	0.12980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.192
Data reduction software	xia2
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.160	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.047
Number of reflections	53036	2592
<I/σ(I)>	14.9
Completeness [%]	100.0
Redundancy	6.4
CC(1/2)	1.000	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	30 % PEG 4000, 0.1 M Tris pH 7.5, 0.2 M magnesiumchloride, 0.4 M sodium thiocyanate, 8 mM beta-mercaptoethanol