4JPN

Bacteriophage phiX174 H protein residues 143-221

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	83.372, 193.904, 67.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.912 - 2.101
R-factor	0.1755
Rwork	0.173
R-free	0.21640
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.874
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.086	0.054	0.269
Number of reflections	64298
<I/σ(I)>	32.8
Completeness [%]	99.7	97.9	100
Redundancy	11.3	11.2	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	12% PEG1000, 0.2 M magnesium chloride, 0.6% n-Octyl-beta-D-glucoside, 0.1 M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	12% PEG1000, 0.2 M magnesium chloride, 0.6% n-Octyl-beta-D-glucoside, 0.1 M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K