8PP4

Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and reduced charge negatively supercharged ferritin variant Ftn(neg)-m3 (Mg formate condition)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 4
Unit cell lengths	127.039, 127.039, 176.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.356 - 1.999
Rwork	0.181
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.546
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.356	49.310	2.030
High resolution limit [Å]	1.990	10.950	2.000
Rmerge	0.037	0.014	0.392
Rmeas	0.052	0.020	0.555
Rpim	0.037	0.014	0.392
Number of reflections	188549	1166	9193
<I/σ(I)>	12.1
Completeness [%]	99.9
Redundancy	2	1.9	2
CC(1/2)	0.999	0.999	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	reservoir: 0.19M Magnesium FormateFtn(pos): 4 mg/mL in 50mM Tris pH 7.5 1 M NaClFtn(Wildtype): 4mg/mL in 50mM Tris pH 7.5 0.3 M NaCl2 uL reservoir + 1uL Ftn(pos) + 1uL Ftn(neg)-m3 added to coverslide in this order.