1PZJ

Cholera Toxin B-Pentamer Complexed With Nitrophenyl Galactoside 5

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	2002-03-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9800
Spacegroup name	C 1 2 1
Unit cell lengths	101.754, 65.998, 77.362
Unit cell angles	90.00, 105.44, 90.00

Refinement procedure

Resolution	19.690 - 1.460
R-factor	0.1174
Rwork	0.115
R-free	0.15900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3chb
RMSD bond length	0.011
RMSD bond angle	1.485
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]	99.000	1.510
High resolution limit [Å]	1.460	1.460
Rmerge	0.048 *	0.115 *
Total number of observations	274226 *
Number of reflections	85036
<I/σ(I)>	19.74	8.601
Completeness [%]	98.5	93.2
Redundancy	3.18	2.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	42% PEG 350, 50 mM NaCl, 100 mM Tris-HCl pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG350	42 (%)
2	1	reservoir		50 (mM)
3	1	reservoir	Tris-HCl	100 (mM)	pH7.5
4	1	drop	protein	5 (mg/ml)