7Z62

Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	48.122, 57.089, 83.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.700 - 1.530
Rwork	0.166
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oko
RMSD bond length	0.016
RMSD bond angle	1.890
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.700	1.560
High resolution limit [Å]	1.530	1.530
Rmerge	0.004	0.264
Rmeas	0.005	0.297
Rpim	0.002	0.134
Number of reflections	35361	1733
<I/σ(I)>	26.5	7.3
Completeness [%]	99.8	99.4
Redundancy	9.2	9.3
CC(1/2)	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	18% PEG3350, 150 mM KSCN, 100 mM Tris/HCl pH 8.5