6T96

Photorhabdus laumondii subsp. laumondii lectin PLL3

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	2019-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	56.582, 69.416, 76.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.530 - 1.650
R-factor	0.1706
Rwork	0.169
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c9p
RMSD bond length	0.009
RMSD bond angle	1.476
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.530	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.143	0.989
Rmeas	0.154	0.065
Rpim	0.057	0.024
Total number of observations	271406
Number of reflections	37089	5293
<I/σ(I)>	8.2
Completeness [%]	99.9	99.2
Redundancy	7.3	7.4
CC(1/2)	0.997	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaF, 14% PEG 3350