8PP3

Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and crystal contact tuned negatively supercharged ferritin variant Ftn(neg)-m1 (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 EIGER2 X CdTe 16M
Wavelength(s)	0.97625
Spacegroup name	P 4
Unit cell lengths	127.007, 127.007, 175.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.774 - 1.550
Rwork	0.218
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.471
Data reduction software	xia2
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.100	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.161
Rpim	0.046
Number of reflections	391240	16153
<I/σ(I)>	8.3
Completeness [%]	97.7
Redundancy	12.1	5.7
CC(1/2)	0.997	0.135

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(Wildtype) added to coverslide in this order.