6S3M

Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-AlF4

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)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	87.735, 101.974, 250.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.540 - 2.113
R-factor	0.2263
Rwork	0.224
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ftd
RMSD bond length	0.007
RMSD bond angle	0.889
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]	43.540	2.189
High resolution limit [Å]	2.113	2.113
Rmerge	0.095	0.788
Rmeas	0.103	0.849
Rpim	0.039	0.313
Number of reflections	60373	6394
<I/σ(I)>	12.97	2.5
Completeness [%]	93.2	100
Redundancy	7	7.3
CC(1/2)	0.997	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	MES-imidazole 0.1M PEG 4K 8% Ethylene glycol 1.25% Glycerol 16%