5OIU

Crystal structure of PilF type IV pilus assembly ATPase from Thermus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.072
Spacegroup name	C 1 2 1
Unit cell lengths	220.390, 107.660, 137.830
Unit cell angles	90.00, 112.95, 90.00

Refinement procedure

Resolution	95.106 - 2.440
R-factor	0.1931
Rwork	0.190
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gsz
RMSD bond length	0.009
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.106	2.500
High resolution limit [Å]	2.440	2.440
Rmerge	0.104
Number of reflections	109033
<I/σ(I)>	11.5
Completeness [%]	98.8
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Sodium bromide, 0.1 M Bis-Tris propane pH 6.5, 20 % (w/v) PEG 3350