4OQ1

Structure of the Streptococcal ancillary pilin

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	2013-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97923
Spacegroup name	P 1 21 1
Unit cell lengths	43.580, 65.760, 60.420
Unit cell angles	90.00, 110.97, 90.00

Refinement procedure

Resolution	34.630 - 1.850
R-factor	0.1882
Rwork	0.186
R-free	0.23692
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	2.000
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	PHENIX (refine)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.630	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.149	0.502
Number of reflections	26430
<I/σ(I)>	7.1	3
Completeness [%]	80.0	96.1
Redundancy	6.9	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Bis-Tris, 28% w/v PEG2000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Bis-Tris, 28% w/v PEG2000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K