6TS0

Crystal structure of human L ferritin (HuLf) triple variant E60A-E61A-E64A Fe(III)-loaded for 30 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	151.386, 151.386, 151.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.918 - 2.200
Rwork	0.203
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lg8
RMSD bond length	0.015
RMSD bond angle	1.875
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]	107.050	2.640	2.300
High resolution limit [Å]	2.200	2.500	2.180
Rmerge	0.067	1.564	1.513
Rmeas	0.071	1.642	1.585
Rpim	0.015	0.363	0.351
Number of reflections	15371	1533	2272
<I/σ(I)>	31.7	2	2.2
Completeness [%]	100.0	100	100
Redundancy	21	20.2	20
CC(1/2)	1.000	0.767	0.744

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