5II3

The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 3, a platin(II) compound containing a O, S bidentate ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-01
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.206, 78.206, 37.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.300 - 1.780
R-factor	0.15542
Rwork	0.153
R-free	0.19011
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j1a
RMSD bond length	0.020
RMSD bond angle	1.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.300	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.052	0.231
Number of reflections	11254
<I/σ(I)>	49.1	3.8
Completeness [%]	97.6	81.4
Redundancy	7.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	Crystals of hen egg white lysozyme-Pt compound adducts appeared in solutions consisting of 1.1 M NaCl, 0.1 M sodium acetate pH 4.4. Single crystals suitable for X-ray experiments were grown by the hanging drop vapor diffusion method using a 1:1 ratio of reservoir solution and protein adducts solution with a protein concentration of about 15 mg /ml.