4KW3

Crystal structure of the non-structural protein 1 N-terminal origin-recognition/nickase domain from the emerging human bocavirus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	77
Detector technology	PIXEL
Collection date	2012-03-30
Detector	PSI PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 41 21 2
Unit cell lengths	199.804, 199.804, 56.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.410 - 2.700
R-factor	0.1732
Rwork	0.171
R-free	0.20670
Structure solution method	Single isomorphous replacement (SIR)
RMSD bond length	0.009
RMSD bond angle	1.171
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.410
High resolution limit [Å]	2.700	2.700
Rmerge		0.510
Number of reflections	32126
<I/σ(I)>		27.4
Completeness [%]	99.8	99.8
Redundancy		8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	30% MPD [(+/-)-2-Methyl-2,4-pentanediol], pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7	293	30% MPD [(+/-)-2-Methyl-2,4-pentanediol], pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K