6TS1

Crystal structure of human L ferritin (HuLf) triple variant E60A-E61A-E64A Fe(III)-loaded for 60 minutes

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97622
Spacegroup name	I 4 3 2
Unit cell lengths	151.222, 151.222, 151.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.522 - 2.200
Rwork	0.196
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lg8
RMSD bond length	0.015
RMSD bond angle	1.987
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.740	2.530	2.300
High resolution limit [Å]	2.200	2.400	2.180
Rmerge	0.087	1.742	1.589
Rmeas	0.092	1.819	1.668
Rpim	0.020	0.399	0.371
Number of reflections	15322	1712	2271
<I/σ(I)>	22.8	2	2.1
Completeness [%]	100.0	100	100
Redundancy	21.4	20.6	20
CC(1/2)	0.999	0.745	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	80 mM cadmium nitrate, 80 mM ammonium sulfate, 200 mM sodium acetate, pH 4.6
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	80 mM cadmium nitrate, 80 mM ammonium sulfate, 200 mM sodium acetate, pH 4.6
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	80 mM cadmium nitrate, 80 mM ammonium sulfate, 200 mM sodium acetate, pH 4.6