4KFT

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

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	46.726, 65.185, 71.620
Unit cell angles	90.55, 93.65, 91.59

Refinement procedure

Resolution	46.613 - 2.241
R-factor	0.1844
Rwork	0.181
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kfr
RMSD bond length	0.013
RMSD bond angle	1.205
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]	46.613	2.380
High resolution limit [Å]	2.240	2.240
Rmerge	0.091	0.621
Number of reflections	39248
<I/σ(I)>	10.82	2.09
Completeness [%]	96.8	91.3
Redundancy	3.39	3.37

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 ATPyS, protein in 50 mM sodium citrate, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K