1PZI

Heat-Labile Enterotoxin B-Pentamer Complexed With Nitrophenyl Galactoside 2a

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	2002-02-23
Detector	SBC-2
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	60.817, 78.683, 62.300
Unit cell angles	90.00, 116.20, 90.00

Refinement procedure

Resolution	27.950 - 1.990
R-factor	0.15778
Rwork	0.154
R-free	0.22100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1djr
RMSD bond length	0.011
RMSD bond angle	1.158
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	2.070
High resolution limit [Å]	1.990	1.990
Rmerge	0.061 *	0.145 *
Total number of observations	124930 *
Number of reflections	34499
<I/σ(I)>	19.28	7.07
Completeness [%]	95.3	84.1
Redundancy	3.45	2.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	298	32% PEG 5000, 100 mM Tris-HCl pH 7.8, 50 mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG5000	32 (%)
2	1	drop	Tris-HCl	100 (mM)	pH7.8
3	1	drop		50 (mM)
4	1	drop	protein	5 (mg/ml)
5	1	reservoir	glycerol	10 (%)