6RGJ

Photorhabdus asymbiotica lectin PHL in complex with D-glucose

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)	0.8950
Spacegroup name	P 31 2 1
Unit cell lengths	80.638, 80.638, 113.437
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.030 - 1.800
R-factor	0.17112
Rwork	0.170
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mxe
RMSD bond length	0.007
RMSD bond angle	1.400
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]	44.030	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.144	0.795
Number of reflections	40112	5670
<I/σ(I)>	18.5	4.5
Completeness [%]	99.7	98.2
Redundancy	12.3	12.1
CC(1/2)	0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	3.9 M NaCl, 100 mM Hepes, pH 7.5