5NF2

The fimbrial shaft protein Mfa1 from Porphyromonas gingivalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97623
Spacegroup name	P 41 21 2
Unit cell lengths	65.846, 65.846, 284.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.297 - 1.730
R-factor	0.1534
Rwork	0.152
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.127
Data reduction software	XDS
Data scaling software	SCALA (0.5.9)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.300	48.300	1.790
High resolution limit [Å]	1.730	6.700	1.730
Rmerge	0.079	0.038	1.191
Rmeas	0.085	0.042	1.280
Rpim	0.032	0.017	0.465
Total number of observations	478679
Number of reflections	66708
<I/σ(I)>	14.2
Completeness [%]	99.9	99.7	99.8
Redundancy	7.2	5.8	7.4
CC(1/2)	0.999	0.998	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20% PEG 8000, 75 mM calcium acetate, 0.1 M sodium cacodylate pH 6.5.