8GW2

Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant CP13-14

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-18
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	70.430, 69.540, 107.484
Unit cell angles	90.00, 106.40, 90.00

Refinement procedure

Resolution	25.780 - 2.710
R-factor	0.215
Rwork	0.206
R-free	0.29840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qb5
RMSD bond length	0.008
RMSD bond angle	1.015
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.710	2.710
Rmeas	0.140	0.640
Number of reflections	13510	1289
<I/σ(I)>	12.1	2.3
Completeness [%]	98.5	98.9
Redundancy	2.8	3.1
CC(1/2)	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	283	0.1 M sodium citrate pH 6, 0.1 M MgCl2, 15% v/v Polyethylene glycol 4000