6FHY

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	81.346, 81.346, 222.783
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.560 - 1.860
R-factor	0.18258
Rwork	0.181
R-free	0.21536
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mxe
RMSD bond length	0.009
RMSD bond angle	1.466
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]	44.560	1.960
High resolution limit [Å]	1.860	1.860
Rmerge	0.193	1.383
Number of reflections	69572	10443
<I/σ(I)>	12.5	1.8
Completeness [%]	99.9	99.2
Redundancy	11.1	11.1
CC(1/2)	0.996	0.576

Crystallization Conditions

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