5O7V

Crystal structure of the 5F-tryptophan RSL lectin in complex with Lewis x tetrasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.93221
Spacegroup name	F 2 3
Unit cell lengths	129.883, 129.883, 129.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.920 - 1.280
R-factor	0.12366
Rwork	0.122
R-free	0.14759
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bt9
RMSD bond length	0.014
RMSD bond angle	2.011
Data reduction software	XDS (20160617)
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.920	1.300
High resolution limit [Å]	1.280	1.280
Rmerge	0.041	0.456
Rpim	0.016	0.192
Number of reflections	46835	2300
<I/σ(I)>	21.2	3.9
Completeness [%]	99.9	99
Redundancy	8.9	8.1
CC(1/2)	1.000	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	Midas 1-30: 40% 5/4 PO/OH 100 mM Mes pH 6.0