1KLF

FIMH ADHESIN-FIMC CHAPERONE COMPLEX WITH D-MANNOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-18
Detector	CUSTOM-MADE
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	138.077, 138.130, 215.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.800 *
R-factor	0.239
Rwork	0.239
R-free	0.27900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qun
RMSD bond length	0.007
RMSD bond angle	26.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.900
High resolution limit [Å]	2.800 *	2.800 *
Rmerge	0.069	0.478
Total number of observations	370427 *
Number of reflections	99135
<I/σ(I)>	13	2.7
Completeness [%]	99.8	99.9
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *	298	ammonium suplhate, pH 8.20, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.7 (mg/ml)
2	1	drop	MES	20 (mM)	pH6.5
3	1	drop	alpha-D-mannose	7 (mM)
4	1	reservoir	ammonium sulfate	1.0 (M)
5	1	reservoir	Tris-HCl	100 (mM)	pH8.2