5O7U

Crystal structure of the 7-Fluorotryptophan RSL lectin in complex with Lewis x tetrasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9799
Spacegroup name	F 2 3
Unit cell lengths	129.152, 129.152, 129.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.290 - 1.150
R-factor	0.10481
Rwork	0.104
R-free	0.12876
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bt9
RMSD bond length	0.015
RMSD bond angle	1.963
Data reduction software	XDS (20161205)
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.300	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.066	0.641
Rpim	0.015	0.148
Number of reflections	63033	3147
<I/σ(I)>	33.2	5.6
Completeness [%]	99.9	100
Redundancy	21.4	20.6
CC(1/2)	1.000	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	60mM divalent, 100 mM buffer 2 pH 7.5, 12.5% peg1K , 12.5% PEG3350 and 12.5% MPD