9RQV

Galectin-3 with a bound inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	34.713, 57.697, 62.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.139 - 1.542
R-factor	0.2211
Rwork	0.220
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.139	1.568
High resolution limit [Å]	1.542	1.542
Rpim	0.077	1.206
Number of reflections	19059	917
<I/σ(I)>	6.46	1.5
Completeness [%]	96.7
Redundancy	5.6
CC(1/2)	0.992	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Hampton Research Index C5: 60% "Tacsimate" pH 7.0