9S19

WRN helicase in complex with ATPgS and ssDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9655
Spacegroup name	P 1 21 1
Unit cell lengths	62.420, 70.550, 123.470
Unit cell angles	90.00, 94.90, 90.00

Refinement procedure

Resolution	123.020 - 2.300
R-factor	0.2295
Rwork	0.228
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	123.019	2.650	2.373
High resolution limit [Å]	2.300	2.593	2.300
Rmerge	0.081	0.566	0.772
Rmeas	0.088	0.620	0.864
Rpim	0.035	0.250	0.377
Number of reflections	41776	2089	2089
<I/σ(I)>	13.91	3.28	2.1
Completeness [%]	87.5	99.5	49.6
Redundancy	6.23	6.04	4.9
CC(1/2)	0.999	0.777	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	100mM HEPES pH 7.2 and 15% w/v PEG 8K