5V23

SeMet crystal structure of the Neisseria meningitidis non-core minor pilin PilV in the orthorhombic form

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976047, 0.979412
Spacegroup name	P 21 21 21
Unit cell lengths	21.794, 39.343, 109.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.030 - 1.956
R-factor	0.1884
Rwork	0.185
R-free	0.25450
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.932
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SOLVE
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.810	2.000
High resolution limit [Å]	1.956	1.960
Rmerge	0.066	0.288
Rpim	0.026	0.129
Number of reflections	7263
<I/σ(I)>	23.9	5.5
Completeness [%]	98.7	89.2
Redundancy	7.3	5.7
CC(1/2)	0.999	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	PEG 8000, ammonium chloride, sodium acetate pH 5.0