4S3L

Crystal Structure of major pilin protein PitB from type II pilus of Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.939
Spacegroup name	P 43
Unit cell lengths	54.210, 54.210, 361.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.210 - 2.800
R-factor	0.2422
Rwork	0.239
R-free	0.29770
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.339
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	autoSHARP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.210	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.195	0.583
Number of reflections	25595
<I/σ(I)>	5.9	2.1
Completeness [%]	80.0	100
Redundancy	4.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	3M NaCl, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	7	293	3M NaCl, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, temperature 293K