1KIU

FimH adhesin Q133N mutant-FimC chaperone complex with methyl-alpha-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	2001-03-20
Detector	CUSTOM-MADE
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	138.349, 138.334, 213.212
Unit cell angles	90.00, 89.98, 90.00

Refinement procedure

Resolution	45.000 - 3.000
R-factor	0.278
Rwork	0.236
R-free	0.28000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	26.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000 *	3.190
High resolution limit [Å]	3.000	3.000
Rmerge	0.087	0.510
Total number of observations	197848 *
Number of reflections	72289
<I/σ(I)>	10.6	2.1
Completeness [%]	87.1 *	65.9 *
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.2	297	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.7 (mg/ml)
2	1	reservoir	methyl-alpha-D-mannopyranoside	10 (mM)
3	1	reservoir	ammonium sulfate	0.6 (M)
4	1	reservoir	Tris-HCl	100 (mM)	pH8.2