8B0Z

Galectin-1 in Complex with Ligand JM171

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97626
Spacegroup name	P 21 21 21
Unit cell lengths	43.246, 58.306, 111.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.320 - 1.230
R-factor	0.2013
Rwork	0.201
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mwx
RMSD bond length	0.014
RMSD bond angle	1.574
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.320	1.277
High resolution limit [Å]	1.230	1.233
Number of reflections	80915	6953
<I/σ(I)>	22.55
Completeness [%]	98.6
Redundancy	12.5
CC(1/2)	0.997	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	2.20 ammonium sulfate