5ILC

The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme a compound 2, a platin(II) compound containing a O, S bidentate ligand

Experimental procedure

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	77.407, 77.407, 37.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.740 - 1.750
R-factor	0.161
Rwork	0.158
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j1a
RMSD bond length	0.020
RMSD bond angle	1.920
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]	54.740	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.040	0.220
Number of reflections	11233
<I/σ(I)>	7.6
Completeness [%]	93.7	70.7
Redundancy	6.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	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 x ml.