4IXJ

The structure of PilJ, a Type IV pilin from Clostridium difficile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	200
Detector technology	CCD
Collection date	2012-11-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.072
Spacegroup name	P 21 21 21
Unit cell lengths	52.823, 77.857, 133.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.710 - 1.983
R-factor	0.186
Rwork	0.183
R-free	0.23000
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.145
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.712
High resolution limit [Å]	1.983
Rmerge	0.118
Number of reflections	38121
<I/σ(I)>	7.2
Completeness [%]	100.0
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	30% PEG4000, 0.1 M MES, 0.2 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	30% PEG4000, 0.1 M MES, 0.2 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K