5ZFR

Crystal structure of PilB, an extension ATPase motor of Type IV pilus, from Geobacter sulfurreducens

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	2017-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0723
Spacegroup name	P 43 21 2
Unit cell lengths	176.301, 176.301, 138.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.338 - 3.100
R-factor	0.2192
Rwork	0.218
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tsg
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	176.301	46.338	3.270
High resolution limit [Å]	3.100	9.800	3.100
Rmerge		0.035	1.308
Rmeas	0.126	0.038	1.401
Rpim	0.044	0.013	0.485
Number of reflections	39383	1342	5711
<I/σ(I)>	10.8	15.5	0.6
Completeness [%]	98.4	95.7	99.4
Redundancy	7.7	6.7	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1M succinic acid pH 7.0, 0.1M HEPES pH 7.0, 1%(w/v) Polyethylene glycol monomethyl ether 2000