9UZI

Crystal structure of Kasokero virus cap- snatching endonuclease in complex with baloxavir acid (BXA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	37.514, 80.108, 115.756
Unit cell angles	90.00, 93.41, 90.00

Refinement procedure

Resolution	26.020 - 2.160
R-factor	0.1763
Rwork	0.174
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.970	2.230
High resolution limit [Å]	2.160	2.160
Rmerge	0.098	0.498
Rmeas	0.139	0.704
Rpim	0.098	0.498
Number of reflections	32640	3116
<I/σ(I)>	5.3	2.2
Completeness [%]	89.4	97
Redundancy	2.6	2.5
CC(1/2)	0.987	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	25% vol/vol Jeffamine ED2003, 0.2 M NaCl, and 0.1 M MES-NaOH pH 6.0