9B15

Superfamily 2 helicase Hel308 containing the beta-hairpin from DNA pol theta helicase-like domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0335
Spacegroup name	P 21 21 2
Unit cell lengths	138.199, 174.128, 85.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.530 - 2.250
R-factor	0.1867
Rwork	0.183
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.807
Data reduction software	DIALS (3.8)
Data scaling software	Aimless (1.12.15)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.153	1.399
Rmeas	0.162	1.514
Rpim	0.052	0.567
Total number of observations		31791
Number of reflections	187173	4737
<I/σ(I)>	7.5	1.2
Completeness [%]	99.9
Redundancy	9.5	6.7
CC(1/2)	0.996	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	291	35% MPD, 12 mM spermine, 40 mM cacodylate, 80 mM KCl