7PLR

Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 61 2 2
Unit cell lengths	124.738, 124.738, 295.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	108.026 - 2.640
Rwork	0.214
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7oa4
RMSD bond length	0.003
RMSD bond angle	1.204
Data reduction software	xia2 (0.6.475-g7ac7bb6b-dials-2.2)
Data scaling software	DIALS (2.2.10-g6dafd9427-release)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.030	2.690
High resolution limit [Å]	2.640	2.640
Rpim	0.025	0.190
Number of reflections	40890	1987
<I/σ(I)>	20.1	2.2
Completeness [%]	100.0	100
Redundancy	39.8	39.1
CC(1/2)	0.999	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	3.4M Sodium Formate 0.1M Tris - HCl pH8.0