28KB

Iron loaded human H-chain ferritin, 3 hour oxygen soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	F 4 3 2
Unit cell lengths	184.160, 184.160, 184.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.160 - 1.830
R-factor	0.1938
Rwork	0.192
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.945
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]	53.160	1.896
High resolution limit [Å]	1.830	1.830
Number of reflections	48329	2345
<I/σ(I)>	18.97
Completeness [%]	100.0
Redundancy	2
CC(1/2)	1.000	0.440

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 chlorise 60 mM ferrous chloride 3 mM sodium azide