1B44

CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-07-15
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	127.100, 127.100, 176.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 3.300
R-factor	0.212
Rwork	0.212
R-free	0.25500
Structure solution method	OTHER
Starting model (for MR)	1ltr CHAINS D-H
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	MOSFLM
Refinement software	X-PLOR (3.84)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.600	3.690
High resolution limit [Å]	3.300	3.300
Rmerge	0.140	0.480
Total number of observations	64075 *
Number of reflections	16377	4728 *
<I/σ(I)>	6.9	1.6
Completeness [%]	74.2	76.7
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	4 *	pH 6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	lithium sulfate	0.8 (M)
3	1	drop	PEG8000	2 (%)
4	1	reservoir	lithium sulfate	0.8 (M)
5	1	reservoir	PEG8000	2 (%)