6ZSQ

Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 18 h of soaking

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-16
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	37.720, 49.050, 49.310
Unit cell angles	69.96, 68.59, 77.00

Refinement procedure

Resolution	23.228 - 2.004
Rwork	0.183
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1beb
RMSD bond length	0.008
RMSD bond angle	1.616
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.230	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.152
Number of reflections	17918	2486
<I/σ(I)>	8.8	3.9
Completeness [%]	86.9	92.4
Redundancy	2.3	1.9
CC(1/2)	0.958	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	Crystals of beta-Lactoglobulin were grown using 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer pH 6.9 as reservoir. Protein crystallizes at a concentration of 18 mg/mL. Crystals of beta-Lactoglobulin were soaked in a solution consisting of 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer (pH 6.9) with 5 mM CDDP (about 1:3 protein to metal ratio).