6T99

Crystal structrue of RSL W31YW76Y lectin mutant in complex with alpha-methylfucoside

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	36.602, 44.425, 116.574
Unit cell angles	96.42, 98.70, 103.36

Refinement procedure

Resolution	42.720 - 2.700
R-factor	0.2219
Rwork	0.220
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bt9
RMSD bond length	0.005
RMSD bond angle	1.367
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.720	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.127	0.464
Total number of observations	34335
Number of reflections	18743	2528
<I/σ(I)>	4.1
Completeness [%]	97.6	96.9
Redundancy	1.8	1.9
CC(1/2)	0.971	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	26% PEG6K, 0.1M Tris/HCl, pH 8.2