29MN

X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(p-TolA)(O2CCH3)3]

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	2022-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	78.120, 78.120, 37.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.239 - 1.311
Rwork	0.183
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.985
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.240	1.330
High resolution limit [Å]	1.310	1.310
Number of reflections	30924	1403
<I/σ(I)>	27
Completeness [%]	99.6
Redundancy	12.9
CC(1/2)	1.000	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	20% ethylene glycol, 0.1 M sodium acetate at pH 4.0, and 0.6 M sodium nitrate