3SHS

Three N-terminal domains of the bacteriophage RB49 Highly Immunogenic Outer Capsid protein (Hoc)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	0.97950
Spacegroup name	C 1 2 1
Unit cell lengths	213.540, 36.731, 62.693
Unit cell angles	90.00, 99.28, 90.00

Refinement procedure

Resolution	27.691 - 1.951
R-factor	0.2231
Rwork	0.218
R-free	0.26730
Structure solution method	SIRAS, 3-wavelength data from a Pt derivative
RMSD bond length	0.008
RMSD bond angle	1.175
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.700	1.980
High resolution limit [Å]	1.950	1.950
Number of reflections	18095
<I/σ(I)>	23.14	4.1
Completeness [%]	50.9	15
Redundancy	6.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20% PEG 800, 200 mM MgCl, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20% PEG 800, 200 mM MgCl, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K