4Z41

X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II))

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.364, 78.364, 37.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.410 - 1.890
R-factor	0.16616
Rwork	0.163
R-free	0.21921
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jvt
RMSD bond length	0.017
RMSD bond angle	1.837
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	99.000
High resolution limit [Å]	1.890
Rmerge	0.099
Number of reflections	9726
<I/σ(I)>	13.8
Completeness [%]	99.9
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	20 % ethylene glycol, 0.1 M sodium acetate pH 4.5, 0.6 M sodium nitrate