1N0L

Crystal structure of the PapD chaperone (C-terminally 6x histidine-tagged) bound to the PapE pilus subunit (N-terminal-deleted) from uropathogenic E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	98
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1
Unit cell lengths	56.070, 56.863, 60.931
Unit cell angles	108.57, 89.26, 104.14

Refinement procedure

Resolution	30.000 * - 2.300
R-factor	0.226
Rwork	0.226
R-free	0.27900
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.290 *
Data reduction software	DENZO
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]	2.300
Rmerge	0.041 *	0.175 *
Total number of observations	162110 *
Number of reflections	27884
<I/σ(I)>	28.7
Completeness [%]	91.0	91.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	100 mM Tris pH 8.5, 250 mM MgCl2, 17-18% PEG 4000, 4-7% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	100 (mM)	pH8.5
2	1	reservoir		250 (mM)
3	1	reservoir	PEG4000	17-18 (%)
4	1	reservoir	glycerol	4-7 (%)