7OWY

Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 3 minutes showing a peroxide anion as bridging species of iron ions in the ferroxidase site

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	F 4 3 2
Unit cell lengths	184.111, 184.111, 184.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.570 - 1.550
R-factor	0.1536
Rwork	0.153
R-free	0.17220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r03
RMSD bond length	0.007
RMSD bond angle	1.377
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.090	1.630
High resolution limit [Å]	1.550	1.550
Rmerge	0.163	0.622
Rmeas	0.168	0.646
Rpim	0.036	0.141
Number of reflections	39259	5609
<I/σ(I)>	12	4.4
Completeness [%]	100.0	100
Redundancy	21.2	20.9
CC(1/2)	0.997	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281.15	1.6-2 M MgCl2 6H2O and 0.1 M bicine pH 9.0