9EQC

Iron loaded human h-chain ferritin exposed to oxygen for 20 minutes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	F 4 3 2
Unit cell lengths	182.740, 182.740, 182.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.750 - 1.600
R-factor	0.1909
Rwork	0.189
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.027
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.750	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	35006	3438
<I/σ(I)>	9.5
Completeness [%]	78.5
Redundancy	25.9
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289	0.1 M bicine 2.0 M magnesium chloride 100 mM sodiem chloride 60 mM ferrous chloride 3 mM sodium azide pH 9.0