8PP2

Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and native(K86Q) human heavy chain ferritin (Mg formate condition)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 4
Unit cell lengths	126.802, 126.802, 175.598
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.061 - 2.001
Rwork	0.203
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.509
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.061	49.010	2.030
High resolution limit [Å]	2.000	10.960	2.000
Rmerge	0.173	0.048	1.164
Rmeas	0.187	0.052	1.257
Rpim	0.070	0.020	0.473
Number of reflections	186148	1169	9136
<I/σ(I)>	10.2
Completeness [%]	99.9
Redundancy	13.9	13.7	13.9
CC(1/2)	0.998	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	reservoir: 0.19M Magnesium Formate Ftn(pos): 4 mg/mL in 50mM Tris pH 7.5 1 M NaCl Ftn(Wildtype): 4mg/mL in 50mM Tris pH 7.5 0.3 M NaCl 2 uL reservoir + 1uL Ftn(pos) + 1uL Ftn(Wildtype) added to coverslide in this order.