8BPU

X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 2)

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	2022-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	78.360, 78.360, 37.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.409 - 1.810
Rwork	0.229
R-free	0.28940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	198l
RMSD bond length	0.008
RMSD bond angle	1.557
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.410	1.840
High resolution limit [Å]	1.810	1.810
Rmerge	0.191	1.328
Number of reflections	11121	524
<I/σ(I)>	11.2	2.5
Completeness [%]	99.5
Redundancy	20
CC(1/2)	0.993	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2.0 M sodium formate, 0.1 M Hepes buffer pH 7.5