9EX0

X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure A)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	80.550, 80.550, 36.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.957 - 1.450
Rwork	0.196
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.691
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.960	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.085	1.199
Rmeas	0.088	1.241
Rpim	0.024	0.318
Number of reflections	21715	1046
<I/σ(I)>	16.8
Completeness [%]	99.8	100
Redundancy	14.2	14.8
CC(1/2)	0.999	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	1.1 M NaCl, 0.1 M sodium acetate at pH 4.0