7BD7

X-ray structure of Arsenoplatin-1-encapsulated horse spleen ferritin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-10
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.9677
Spacegroup name	F 4 3 2
Unit cell lengths	180.910, 180.910, 180.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.540 - 1.500
R-factor	0.1673
Rwork	0.166
R-free	0.18510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5erk
RMSD bond length	0.014
RMSD bond angle	1.819
Data reduction software	iMOSFLM
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.538	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.113	0.840
Rmeas	0.120	0.891
Rpim	0.040	0.404
Number of reflections	40897	2028
<I/σ(I)>	12.4	2.6
Completeness [%]	100.0	100
Redundancy	8.7	9.1
CC(1/2)	0.999	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	0.6 M ammomium sulphate 0.1 M Tris HCl buffer pH 7.2 60 mM cadmium sulphate