9EX1

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 B)

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 PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	77.800, 77.800, 35.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.930 - 1.785
Rwork	0.248
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.508
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]	38.930	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.077	2.151
Rmeas	0.079	2.197
Rpim	0.017	0.445
Number of reflections	10434	12610
<I/σ(I)>	19	2.3
Completeness [%]	96.3	99.8
Redundancy	22.9	24
CC(1/2)	0.999	0.923

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