7EK7

prawn ferritin to coordinate with heavy metal ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	I 4
Unit cell lengths	126.285, 126.285, 177.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.020 - 2.700
R-factor	0.2579
Rwork	0.254
R-free	0.33620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a4u
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.020	30.000	2.800
High resolution limit [Å]	2.700	5.800	2.700
Rmerge	0.154	0.091	0.657
Rmeas	0.166	0.099	0.712
Rpim	0.063	0.038	0.274
Number of reflections	37909	3858	3797
<I/σ(I)>	3.8
Completeness [%]	100.0	100	100
Redundancy	7	6.8	6.7
CC(1/2)		0.993	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.1 M HEPES pH 7.5, 2.0 M Ammonium formate