6F5W

Photorhabdus asymbiotica lectin (PHL) in complex with propargyl-fucoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	80.571, 80.571, 224.799
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.960 - 1.910
R-factor	0.17479
Rwork	0.173
R-free	0.21288
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mxe
RMSD bond length	0.011
RMSD bond angle	1.431
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.4.03)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.960	2.010
High resolution limit [Å]	1.910	1.910
Rmerge	0.206	1.319
Rmeas	0.216
Rpim	0.065	0.428
Number of reflections	63648	9584
<I/σ(I)>	9.4	1.8
Completeness [%]	99.8	99.2
Redundancy	10.9	10.2
CC(1/2)	0.996	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	5M NaCl, 100 mM HEPES