6T9A

Crystal structrue of RSL W31FW76F lectin mutant in complex with L-fucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	40.262, 42.105, 44.020
Unit cell angles	116.40, 94.54, 115.49

Refinement procedure

Resolution	37.150 - 2.000
R-factor	0.1547
Rwork	0.152
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bt9
RMSD bond length	0.003
RMSD bond angle	1.309
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.150	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.053	0.160
Rmeas	0.071	0.063
Rpim	0.048	0.041
Total number of observations	28355
Number of reflections	14315	2071
<I/σ(I)>	8.3
Completeness [%]	96.4	95.3
Redundancy	2	2
CC(1/2)	0.994	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	23% PEG 6000, 0.1M Glycine, 0.1M Tris/HCl, pH 8.2