1LT3

HEAT-LABILE ENTEROTOXIN DOUBLE MUTANT N40C/G166C

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1996-09
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	119.700, 101.100, 64.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.188
Rwork	0.188
R-free	0.26100
Structure solution method	ISOMORPHOUS MOLECULAR REPLACEMENT
Starting model (for MR)	1ltt
RMSD bond length	0.011
RMSD bond angle	23.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.053 *	0.175 *
Number of reflections	48385
<I/σ(I)>	17	4.5
Completeness [%]	90.5	72.3 *
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	three-layer capillary method *	7.5		PROTEIN WAS CRYSTALLIZED FROM 5% PEG 6000, 100 MM NACL, 1 MM EDTA, 75 MM LACTOSE, 100 MM TRIS PH 7.5 USING THE 3 LAYER CAPPILARY METHOD, 3 layer capillary method

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	LT-I N40C/G166C	5 (mg/ml)
2	1	2	PEG6000	5.6 (%)
3	1	2	Tris-HCl	100 (mM)
4	1	2		100 (mM)	2
5	1	2		0.02 (%)
6	1	2	lactose	75 (mM)
7	1	2	guanyltyramine	1.5 (mM)