6ZVF

Crystal structure of the recombinant Fab fragment derived from the hybridoma M3/38 in complex with a human Galectin-3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91840
Spacegroup name	C 1 2 1
Unit cell lengths	94.134, 61.270, 80.909
Unit cell angles	90.00, 103.36, 90.00

Refinement procedure

Resolution	50.980 - 1.900
R-factor	0.2047
Rwork	0.203
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o2v
RMSD bond length	0.007
RMSD bond angle	1.519
Data reduction software	MOSFLM (7.2.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.719	50.925	2.000
High resolution limit [Å]	1.661	6.010	1.900
Rmerge		0.047	0.411
Rmeas	0.096	0.051	0.451
Rpim	0.039	0.020	0.182
Total number of observations	197033	6633	29836
Number of reflections	34354	1137	5068
<I/σ(I)>	10.9	22.1	4
Completeness [%]	97.0	96.5	97.9
Redundancy	5.7	5.8	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	polyethylene glycol 4000