6FHX

Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-22
Detector	RAYONIX MX-225
Wavelength(s)	0.8943
Spacegroup name	P 32 2 1
Unit cell lengths	81.568, 81.568, 222.913
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.580 - 2.340
R-factor	0.1951
Rwork	0.192
R-free	0.25216
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mxe
RMSD bond length	0.013
RMSD bond angle	1.650
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.580	2.470
High resolution limit [Å]	2.340	2.340
Rmerge	0.218	0.989
Number of reflections	37127	5331
<I/σ(I)>	12	2.7
Completeness [%]	99.9	99.2
Redundancy	11	10.9
CC(1/2)	0.992	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	4.7M NaCl, 100mM Hepes, pH 7.5