8GUF

Crystal structure of cyclic B subunit of type II heat labile enterotoxin

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-05-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	C 1 2 1
Unit cell lengths	132.129, 70.178, 60.772
Unit cell angles	90.00, 117.00, 90.00

Refinement procedure

Resolution	29.420 - 1.990
R-factor	0.2164
Rwork	0.214
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qb5
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.060
High resolution limit [Å]	1.990	1.990
Rmeas		0.186
Rpim	0.026	0.092
Number of reflections	33337	3258
<I/σ(I)>	27.9
Completeness [%]	97.1
Redundancy	3.8	4
CC(1/2)		0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1M Sodium Citrate, 10% w/v PEG 8000