7ADA

Crystal structure of helicase Pif1 from Thermus oshimai mutant Q164C-E409C

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	2020-01-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978910
Spacegroup name	P 1 21 1
Unit cell lengths	74.070, 58.679, 118.155
Unit cell angles	90.00, 92.21, 90.00

Refinement procedure

Resolution	52.550 - 3.340
R-factor	0.2477
Rwork	0.245
R-free	0.30160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s3e
RMSD bond length	0.004
RMSD bond angle	0.877
Data reduction software	XDS (Mar 15, 2019, built on 20191211)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.550	3.460
High resolution limit [Å]	3.340	3.340
Rmerge	0.049	0.600
Rmeas	0.054	0.647
Rpim	0.021	0.241
Number of reflections	15002	1501
<I/σ(I)>	24.54	2.79
Completeness [%]	99.6	99.8
Redundancy	6.9	7.1
CC(1/2)	0.998	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.1 M Sodium Hepes-MOPS (pH 7.5) 0.03 M CaCl2 0.03 M MgCl2 10% PEG8000 20% ethylene glycol.