4KFU

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 1
Unit cell lengths	46.558, 65.227, 72.118
Unit cell angles	90.85, 93.77, 91.56

Refinement procedure

Resolution	48.717 - 1.892
R-factor	0.1906
Rwork	0.188
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kfr
RMSD bond length	0.011
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.717	2.010
High resolution limit [Å]	1.890	1.890
Rmerge	0.085	0.708
Number of reflections	65868
<I/σ(I)>	11.78	1.94
Completeness [%]	97.4	92.4
Redundancy	3.94	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	0.1 M Tris-HCl, 0.2 M magnesium chloride, 30% PEG8000, 5 mM AMPPCP, protein in 50 mM sodium citrate, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K