6TSF

Crystal structure of human L ferritin (HuLf) 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	151.140, 151.140, 151.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.840 - 2.090
Rwork	0.209
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lg8
RMSD bond length	0.014
RMSD bond angle	1.858
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]	106.870	2.420	2.200
High resolution limit [Å]	2.090	2.300	2.090
Rmerge	0.065	1.583	0.849
Rmeas	0.069	1.657	0.887
Rpim	0.015	0.375	0.190
Number of reflections	16631	1969	2531
<I/σ(I)>	26.8	2.1	3.7
Completeness [%]	93.5	100	100
Redundancy	20.3	19.3	21.5
CC(1/2)	1.000	0.823	0.925

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