1TII

ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1994-03-20
Spacegroup name	P 31 2 1
Unit cell lengths	105.700, 105.700, 171.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.250
R-factor	0.191
Rwork	0.191
R-free	0.26600
Structure solution method	SIR + FIVE-FOLD AVERAGING + HOMOLOGY MODEL
RMSD bond length	0.011
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.063	0.235
Number of reflections	44164
<I/σ(I)>	13.6	2.56
Completeness [%]	83.0	68
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	4 *	SITTING DROP VAPOR DIFFUSION RESERVOIR CONTAINS: 2.0M NACL,0.2M LI2SO4, 0.2M NA-ACETATE PH 4.7 AT 4 DEGREES CELSIUS, vapor diffusion - sitting drop, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		2.0 (M)
2	1	reservoir		0.2 (M)
3	1	reservoir	sodium acetate	0.2 (M)