6RGU

Photorhabdus asymbiotica lectin PHL in complex with 3-O-methyl-D-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 31 2 1
Unit cell lengths	80.828, 80.828, 113.243
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.450 - 1.750
R-factor	0.17015
Rwork	0.169
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mxe
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.6.02)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.020	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.093	1.207
Number of reflections	43779	6310
<I/σ(I)>	14	1.8
Completeness [%]	100.0	100
Redundancy	11.2	10.4
CC(1/2)	0.999	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	4M NaCl, 100mM Hepes, pH 7.5