1EK9

2.1A X-RAY STRUCTURE OF TOLC: AN INTEGRAL OUTER MEMBRANE PROTEIN AND EFFLUX PUMP COMPONENT FROM ESCHERICHIA COLI

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	1999-11-18
Detector	CUSTOM-MADE
Spacegroup name	H 3
Unit cell lengths	265.049, 265.049, 95.959
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.208
Rwork	0.208
R-free	0.25700
RMSD bond length	0.018
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	129.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.063	0.261
Total number of observations	1388136 *
Number of reflections	146143 *
<I/σ(I)>	6.5
Completeness [%]	99.6	99.6
Redundancy	9.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	25 *	PEG 2000 MME, PEG 400, Sodium Chloride, Magnesium Chloride, dodecyl glucopyrsanoside, hexyl glucopyranoside, heptyl gluocopyranoside, octyl glucopyranoside, 1,2,3-heptanetriol, Tris, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	detergent mixture	0.6 (%)
10	1	reservoir	Tris-HCl	20 (mM)
2	1	drop	1,2,3-heptanetriol	1.5 (%)
3	1	drop	mPEG2000	7 (%)
4	1	drop	PEG400	10 (%)
5	1	drop		10 (mM)
6	1	drop	Tris-HCl	20 (mM)
7	1	drop	protein	10-15 (mg/ml)
8	1	reservoir	mPEG2000	12.5 (%)
9	1	reservoir		400 (mM)