6VC4

Peanut lectin complexed with S-beta-D-Thiogalactopyranosyl beta-D-glucopyranoside derivative (STGD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 2 21 21
Unit cell lengths	76.067, 124.562, 127.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.640 - 1.900
R-factor	0.223
Rwork	0.222
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pel
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.280	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.129	1.011
Rmeas	0.135	1.060
Rpim	0.040	0.314
Number of reflections	95802	4660
<I/σ(I)>	11.8	2.2
Completeness [%]	100.0	100
Redundancy	11.7	11.2
CC(1/2)	0.997	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	15% (w/v) PEG 8000, 0.1 sodium citrate, 0.125M ammonium sulfate