6G9G

Crystal Structure of the TASNSS segment from the R4-R5 loop of the E. coli Biofilm-associated CsgA Curli protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	9.320, 12.550, 21.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.810 - 1.600
R-factor	0.1079
Rwork	0.104
R-free	0.13510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.338
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	10.810	10.810	1.850
High resolution limit [Å]	1.600	3.210	1.600
Rmerge	0.222	0.148	0.550
Rmeas	0.237	0.159	0.582
Total number of observations	3379
Number of reflections	389	54	130
<I/σ(I)>	6.07	9	2.77
Completeness [%]	97.7	96.4	97.7
Redundancy	8.686	7.444	9.231
CC(1/2)	0.986	0.993	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir contained 0.2 M Lithium sulfate, 0.1 M Tris-HCl pH 8.5, 30%(w/v) PEG 4000, and 10 mM of the TAIVVQ peptide