8B1S

co-crystal of SUDV VP40 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	2021-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999998
Spacegroup name	C 1 2 1
Unit cell lengths	62.100, 90.623, 48.189
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	45.310 - 1.600
R-factor	0.1898
Rwork	0.189
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ld8
RMSD bond length	0.003
RMSD bond angle	0.720
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]	48.060	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	33883	1474
<I/σ(I)>	21.8	3.8
Completeness [%]	97.7	86.7
Redundancy	6.9	6.3
CC(1/2)	0.990	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM HEPES 40 mM MgCl2 10% (v/v) PEG400 salicylic acid