1JQY

HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010

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	1999-12-11
Detector	CUSTOM-MADE
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	64.990, 166.006, 74.420
Unit cell angles	90.00, 92.13, 90.00

Refinement procedure

Resolution	25.000 - 2.140
R-factor	0.2096 *
Rwork	0.211
R-free	0.28790 *
RMSD bond length	0.016 *
RMSD bond angle	0.045 *
Data reduction software	TRUNCATE
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.000	2.220
High resolution limit [Å]	2.100 *	2.140
Rmerge	0.050	0.205
Number of reflections	84223
<I/σ(I)>	24	5.5
Completeness [%]	97.0 *	83 *
Redundancy	4.6	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4 *		PEG 3000, NaCl, Tris HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.0 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.4
3	1	drop		200 (mM)
4	1	drop		3 (mM)
5	1	drop	EDTA	1 (mM)
6	1	reservoir		50 (mM)
7	1	reservoir	Tris-HCl	100 (mM)	pH6.5
8	1	reservoir	PEG3000	30 (%)