1QUN

X-RAY STRUCTURE OF THE FIMC-FIMH CHAPERONE ADHESIN COMPLEX FROM UROPATHOGENIC E.COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	173
Detector technology	AREA DETECTOR
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	139.410, 139.570, 215.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.24 *
Rwork	0.240
R-free	0.26800
RMSD bond length	0.020
RMSD bond angle	0.040
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.800
Rmerge	0.076 *	0.253 *
Number of reflections	142580
Completeness [%]	98.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2 *	289	Ammonium Sulphate, Tris, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	FimC-FimH	4 (mg/ml)
2	1	drop	C-HEGA	300 (mM)
3	1	reservoir	ammonium sulfate	1 (M)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.2