9S2D

KHNYN exPIN nuclease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9537
Spacegroup name	P 41
Unit cell lengths	54.718, 54.718, 110.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.720 - 2.350
R-factor	0.2015
Rwork	0.198
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.139
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.720	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	13672	664
<I/σ(I)>	5.5
Completeness [%]	100.0
Redundancy	12.6
CC(1/2)	0.995	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	100 mM bis-tris-propane HCl pH 6.5, 200 mM NaF, and 20 % (v/v) PEG 3350.