7PRS

Crystal Structure of the B subunit of heat labile enterotoxin LT-IIc from Escherichia coli in complex with Sialyl-lacto-N-neotetraose d

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	2021-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	73.090, 121.269, 126.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.541 - 2.000
Rwork	0.188
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7prp
RMSD bond length	0.016
RMSD bond angle	1.772
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.900	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.645
Rmeas	0.068	0.718
Rpim	0.030	0.314
Number of reflections	76810	4517
<I/σ(I)>	19	3.3
Completeness [%]	100.0	99.9
Redundancy	9.8	10
CC(1/2)	0.999	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	1.5 M LiSO4 100 mM Mes pH 6.5 and soaked in 2.5 M LiSO4 for cryoprotection prior mounting in cryoloop