6S3O

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

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	P 21 21 21
Unit cell lengths	61.012, 64.489, 144.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.240 - 1.974
R-factor	0.1885
Rwork	0.187
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ftd
RMSD bond length	0.005
RMSD bond angle	0.718
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]	32.240	2.045
High resolution limit [Å]	1.974	1.974
Rmerge	0.124	0.826
Rmeas	0.135	0.901
Rpim	0.051	0.355
Number of reflections	35963	3642
<I/σ(I)>	14.81	2.32
Completeness [%]	87.7	90.28
Redundancy	7	5.9
CC(1/2)	0.999	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Tris-HCl 0.1M NaF 0.03M NaBr 0.03M NaI 0.03M MES 0.03M PEG 4K 10% Glycerol 20%