6T8S

Structure of the major Type IV pilin PilA1 from Clostridium difficile

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 41 21 2
Unit cell lengths	102.570, 102.570, 104.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.250 - 1.650
R-factor	0.1952
Rwork	0.194
R-free	0.21410
Structure solution method	AB INITIO PHASING
RMSD bond length	0.006
RMSD bond angle	1.301
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	Arcimboldo
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.250	73.140	1.680
High resolution limit [Å]	1.650	8.890	1.650
Rmerge	0.135	0.047	3.684
Rmeas	0.140	0.049	3.862
Rpim	0.037	0.013	1.142
Total number of observations		7121	39779
Number of reflections	67404	533	3396
<I/σ(I)>	12	41.1	0.6
Completeness [%]	100.0	99.8	100
Redundancy	14.3	13.4	11.7
CC(1/2)	0.999	0.999	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.6 M Sodium Citrate