4S18

The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and oxaliplatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	100.722, 32.736, 73.233
Unit cell angles	90.00, 90.36, 90.00

Refinement procedure

Resolution	50.000 - 2.270
R-factor	0.22825
Rwork	0.225
R-free	0.30092
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb code 1JVT
RMSD bond length	0.012
RMSD bond angle	2.530
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]	50.000
High resolution limit [Å]	2.270
Rmerge	0.161
Number of reflections	10764
Completeness [%]	95.4
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	RNase A was crystallized at room temperature mixing 1 L solution of protein at 20 mg mL-1 with an equal volume of reservoir solution containing 20% PEG4000 and 20 mM sodium citrate buffer pH 5.0. Two weeks after their appearance, single crystals were soaked for four days in a solution of Oxaliplatin dissolved in 10 L of reservoir. At the final, Pt drugs:protein concentrations were in 10:1 ratio, VAPOR DIFFUSION, HANGING DROP, temperature 298K