8B2U

Crystal structure of SUDV VP40 in complex with salicylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000009
Spacegroup name	C 1 2 1
Unit cell lengths	62.302, 90.622, 48.104
Unit cell angles	90.00, 94.02, 90.00

Refinement procedure

Resolution	47.990 - 1.800
R-factor	0.2091
Rwork	0.208
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ld8
RMSD bond length	0.007
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.990	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	24102	1315
<I/σ(I)>	6.4	0.7
Completeness [%]	97.9	90.4
Redundancy	3.4	3.3
CC(1/2)	0.995	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM HEPES 40 mM MgCl2 10 % (v/v) PEG400 20% ethylen glycol as cryoprotectant