6RGR

Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose

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	2016-08-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.8943
Spacegroup name	P 31 2 1
Unit cell lengths	80.499, 80.499, 113.413
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.990 - 1.890
R-factor	0.20113
Rwork	0.200
R-free	0.22876
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mxe
RMSD bond length	0.006
RMSD bond angle	1.309
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.4.03)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.990	1.990
High resolution limit [Å]	1.890	1.890
Rmerge	0.113	1.317
Number of reflections	34618	4937
<I/σ(I)>	16.1	2
Completeness [%]	99.8	98.6
Redundancy	12.2	12.1
CC(1/2)	0.999	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	3.8 M NaCl, 100 mM Hepes, pH 7.5