4KFR

Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with sulfate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979790,0.979860,0.979110
Spacegroup name	C 1 2 1
Unit cell lengths	193.571, 59.604, 77.561
Unit cell angles	90.00, 111.08, 90.00

Refinement procedure

Resolution	48.587 - 1.956
R-factor	0.1796
Rwork	0.178
R-free	0.21600
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.142
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.587	2.070
High resolution limit [Å]	1.956	1.956
Rmerge	0.057	0.528
Number of reflections	58758
<I/σ(I)>	14	2.15
Completeness [%]	98.0	96.6
Redundancy	3.17	3.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.1 M sodium cacodylate, 0.21 M ammonium sulfate, 0.05 M magnesium chloride, protein in 50 mM sodium citrate, 35% PEG6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K