6S3N

Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-VO4

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)	0.9789
Spacegroup name	C 2 2 21
Unit cell lengths	88.093, 102.955, 249.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.047 - 2.533
R-factor	0.201
Rwork	0.198
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ftd
RMSD bond length	0.003
RMSD bond angle	0.773
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]	44.050	2.624
High resolution limit [Å]	2.533	2.533
Rmerge	0.122	0.730
Rmeas	0.132	0.784
Rpim	0.049	0.265
Number of reflections	36510	3756
<I/σ(I)>	10.44	2.26
Completeness [%]	95.5	99.71
Redundancy	7.1	7.5
CC(1/2)	0.994	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Osdium Hepes-MOPS 0.1M NaF 0.03M NaI 0.03M NaBr 0.03M PEG 4K 20% Glycerol 20%