4R2H

The Crystal Structure of B204, the DNA-packaging ATPase from Sulfolobus Turreted Icosahedral Virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	51.870, 57.960, 67.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.652 - 1.960
R-factor	0.1829
Rwork	0.181
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.986
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.943	38.652	2.060
High resolution limit [Å]	1.960	6.190	1.960
Rmerge		0.030	0.315
Total number of observations		3068	13910
Number of reflections	15207
<I/σ(I)>	17.5	17.8	2.5
Completeness [%]	100.0	99.1	100
Redundancy	6.3	5.6	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.5M ammonium phosphate dibasic, 0.1M TRIS-HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K