6RJV

The X-ray structure of the Gold/Serum Albumin adduct obtained upon reaction of the protein with AuL12, a gold(III) dithiocarbamate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	214.380, 44.610, 142.610
Unit cell angles	90.00, 114.00, 90.00

Refinement procedure

Resolution	130.280 - 3.210
R-factor	0.19267
Rwork	0.190
R-free	0.25313
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v03
RMSD bond length	0.007
RMSD bond angle	1.682
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	130.280	3.260
High resolution limit [Å]	3.210	3.210
Rmerge	0.061	0.584
Rpim	0.041	0.377
Number of reflections	20541	985
<I/σ(I)>	13.3	2.2
Completeness [%]	98.6	99.7
Redundancy	3.1	3.3
CC(1/2)	0.999	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20% PEG3350 0.1 M Tris HCl pH 8.5 0.2 M MgCl2