1RCV

Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	101.829, 66.133, 77.771
Unit cell angles	90.00, 105.62, 90.00

Refinement procedure

Resolution	41.520 - 1.600
R-factor	0.16558
Rwork	0.164
R-free	0.19339
RMSD bond length	0.013
RMSD bond angle	1.529
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.064	0.371
Number of reflections	63041
<I/σ(I)>	18.3	3
Completeness [%]	96.0	76.3
Redundancy	3.6	3.25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	30% PEG 300, 50 mM NaCl, 100 mM Tris-HCl, and 2.3mM BV1, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K