7OAR

Crystal structure of helicase Pif1 from Thermus oshimai in complex with parallel G-quadruplex

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	2019-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97777
Spacegroup name	P 62 2 2
Unit cell lengths	151.782, 151.782, 219.534
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.390 - 2.580
R-factor	0.1967
Rwork	0.194
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s3e
RMSD bond length	0.008
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3512)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	131.447	2.682
High resolution limit [Å]	2.580	2.580
Rmerge	0.069	2.402
Rmeas	0.070	2.461
Rpim	0.016	0.534
Number of reflections	877426	46926
<I/σ(I)>	26.8	1.4
Completeness [%]	94.1	52.8
Redundancy	19.7	21.1
CC(1/2)	1.000	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Bis-Tris 0.1M PEG 20000 10%