5ILF

The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 4, a platin(II) compound containing a O, S bidentate ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
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	77.983, 77.983, 37.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.140 - 1.850
R-factor	0.17
Rwork	0.167
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j1a
RMSD bond length	0.019
RMSD bond angle	1.724
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.140	1.880
High resolution limit [Å]	1.850	1.850
Rmerge		5.100
Number of reflections	10170
<I/σ(I)>	9.1
Completeness [%]	98.6	90.4
Redundancy	5.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Crystals of hen egg white lysozyme (HEWL)-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.