28KC

Iron loaded human H-chain ferritin, 2 minute oxygen soak

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	182.940, 182.940, 182.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.620 - 1.940
R-factor	0.1693
Rwork	0.168
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.963
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.620	2.007
High resolution limit [Å]	1.940	1.940
Number of reflections	38150	1997
<I/σ(I)>	28.65
Completeness [%]	96.2
Redundancy	2
CC(1/2)	0.998	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M bicine pH 9.0 0.1 M sodium chloride 2 M magnesium chloride 60 mM ferrous chloride 3 mM sodium azide