1N12

Crystal structure of the PapE (N-terminal-deleted) pilus subunit bound to a peptide corresponding to the N-terminal extension of the PapK pilus subunit (residues 1-11) from uropathogenic E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	98
Spacegroup name	P 1 21 1
Unit cell lengths	25.254, 91.922, 51.244
Unit cell angles	90.00, 99.26, 90.00

Refinement procedure

Resolution	30.000 * - 1.870
R-factor	0.208
Rwork	0.208
R-free	0.24900
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.220 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *
High resolution limit [Å]	1.870 *
Rmerge	0.050 *	0.149 *
Total number of observations	232749 *
Number of reflections	18969 *
Completeness [%]	99.2 *	96.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	294	100 mM Tris pH 8.5, 200 mM NaCl, 27-32% PEG 4000, 1 mM beta-mercaptoethanol, VAPOR DIFFUSION, temperature 294K