9S17

WRN helicase in complex with molecule 81

This is a non-PDB format compatible entry.

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	2024-07-18
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	56.091, 92.729, 96.298
Unit cell angles	90.00, 105.57, 90.00

Refinement procedure

Resolution	92.770 - 1.910
R-factor	0.2205
Rwork	0.219
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.970
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]	92.770	2.108
High resolution limit [Å]	1.910	1.910
Rmerge	0.078	1.016
Rmeas	0.084	1.110
Rpim	0.031	0.439
Number of reflections	47870	2393
<I/σ(I)>	12.9	1.7
Completeness [%]	94.4	69.3
Redundancy	7.02	6.1
CC(1/2)	0.999	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	293	100 mM BIS-TRIS 5.8 pH, 26 % w/v PEG 3350 and 275 mM LiSO4