9S18

WRN helicase in complex with HRO761

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	67.177, 68.159, 119.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.130 - 1.995
R-factor	0.2124
Rwork	0.210
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.505	2.150
High resolution limit [Å]	1.995	1.995
Rmerge	0.076	1.806
Rmeas	0.079	1.872
Rpim	0.021	0.490
Number of reflections	29207	1460
<I/σ(I)>	17.37	1.46
Completeness [%]	77.0	63.3
Redundancy	13.61	14.31
CC(1/2)	0.999	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	0.3M trisodium citrate tetrahydrate, 0.1M sodium citrate, pH 4.25 and 10% PEG 3350.