7OA4

Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound L-742,001

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97563
Spacegroup name	P 61 2 2
Unit cell lengths	124.790, 124.790, 295.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	108.071 - 2.900
Rwork	0.197
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xi7
RMSD bond length	0.004
RMSD bond angle	1.211
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]	108.071	2.950
High resolution limit [Å]	2.900	2.900
Rmeas	0.230
Rpim	0.043	0.202
Number of reflections	31157	1505
<I/σ(I)>	13.2	2.2
Completeness [%]	100.0	99.7
Redundancy	27.8	27.09
CC(1/2)	0.994	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	3.4M Na-formate 0.1M Tris-HCl pH 8.0