1PZK

Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-17
Detector	SBC-2
Wavelength(s)	0.97945
Spacegroup name	C 1 2 1
Unit cell lengths	102.048, 66.137, 78.185
Unit cell angles	90.00, 105.78, 90.00

Refinement procedure

Resolution	33.520 - 1.350
R-factor	0.13389
Rwork	0.132
R-free	0.17300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3chb
RMSD bond length	0.013
RMSD bond angle	1.626
Data reduction software	TRUNCATE
Data scaling software	CCP4 ((TRUNCATE))
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.054 *	0.402 *
Total number of observations	342770 *
Number of reflections	104310
<I/σ(I)>	22.1	1.86
Completeness [%]	95.5	68.4
Redundancy	3.14	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	298	36% PEG 550 MME, 50 mM NaCl, 100 mM Tris pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG550 MME	36 (%)
2	1	reservoir		50 (mM)
3	1	reservoir	Tris-HCl	100 (mM)	pH7.3
4	1	drop	protein	5 (mg/ml)