6GXJ

X-ray structure of DiRu-1-encapsulated Apoferritin

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	2018-03-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979482
Spacegroup name	F 4 3 2
Unit cell lengths	180.404, 180.404, 180.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.260 - 1.430
R-factor	0.174
Rwork	0.174
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5erk
RMSD bond length	0.009
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BUSTER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.160	1.466
High resolution limit [Å]	1.430	1.430
Rpim	0.036	0.739
Number of reflections	45764	2274
<I/σ(I)>	13.7
Completeness [%]	97.7	69.1
Redundancy	37.3
CC(1/2)	0.996	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.6-0.8 M (NH4)2SO4, 0.1 M Tris HCl pH 7.7, 50 mM CDSO4