7ZIU

Crystal structure of Ntaya virus NS5 polymerase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	64.285, 79.793, 133.255
Unit cell angles	90.00, 93.31, 90.00

Refinement procedure

Resolution	47.580 - 2.800
R-factor	0.2395
Rwork	0.237
R-free	0.28870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qsn
RMSD bond length	0.002
RMSD bond angle	0.426
Data reduction software	XDS (xdsgui2)
Data scaling software	XDS (xdsgui2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.580	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.347	1.772
Rmeas	0.376	1.918
Rpim	0.142	0.727
Number of reflections	33010	3220
<I/σ(I)>	6.13	0.94
Completeness [%]	98.8	97.66
Redundancy	6.9	6.8
CC(1/2)	0.983	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% w/v PEG4000, 20% glycerol; 100 mM bicine/Trizma base pH 8.5; 20 mM D-glucose, 20 mM D-mannose, 20 mM D-galactose, 20 mM D-fucose, 20 mM D-xylose, 20 mM N-acetyl-D-glucosamine