8A2M

X-ray structure of Ru(bpy)3]2+ complex (Ru1)-encapsulated human heavy chain ferritin

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96
Spacegroup name	F 4 3 2
Unit cell lengths	183.770, 183.770, 183.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.622 - 1.570
Rwork	0.160
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n27
RMSD bond length	0.013
RMSD bond angle	1.774
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.100	1.590
High resolution limit [Å]	1.570	1.570
Rmerge	0.200	1.000
Rmeas	0.250	0.900
Rpim	0.030	0.380
Number of reflections	37411	1836
<I/σ(I)>	15
Completeness [%]	99.4	100
Redundancy	20	15
CC(1/2)	0.998	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	2.0 M magnesium chloride, 0.1 M bicine buffer pH 9.0