4S1Y

X-ray structure of human serum albumin complexed with cisplatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	57.789, 86.474, 59.141
Unit cell angles	90.00, 103.70, 90.00

Refinement procedure

Resolution	57.460 - 3.160
R-factor	0.22781
Rwork	0.223
R-free	0.32943
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 1HK1
RMSD bond length	0.011
RMSD bond angle	1.384
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]	57.460
High resolution limit [Å]	3.160
Rmerge	0.149
Number of reflections	9393
Completeness [%]	96.4
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	298	Crystals of a cisplatin/HSA adduct were obtained by soaking: more in detail, crystals of defatted HSA, grown after four weeks by sitting drop vapour diffusion method at 25 C using a reservoir solution of 30 % w/v polyethylene glycol 3350 in 50 mM potassium phosphate at pH 7.4 and protein concentration of 30 mg mL-1 (see experimental section or further details), were soaked for 24 h in a 0.005 M cisplatin solution in the same reservoir, VAPOR DIFFUSION, SITTING DROP, temperature 298K