6S3I

Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-MgF4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 41 21 2
Unit cell lengths	61.195, 61.195, 260.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.570 - 2.455
R-factor	0.247
Rwork	0.244
R-free	0.30150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ftd
RMSD bond length	0.004
RMSD bond angle	0.849
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14rc1_3177: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.570	2.543
High resolution limit [Å]	2.455	2.455
Rmerge	0.084	1.089
Rmeas	0.088	1.131
Rpim	0.025	0.303
Number of reflections	17618	1836
<I/σ(I)>	19.04	2.34
Completeness [%]	9.3	99.14
Redundancy	12.3	13.5
CC(1/2)	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	MES-imidazole 0.1M PEG 4000 8% Ethylene glycol 1.25% Glycerol 16%