6TSX

Crystal structure of horse L ferritin (HoLf) 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 I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97950
Spacegroup name	F 4 3 2
Unit cell lengths	181.242, 181.242, 181.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.706 - 2.021
Rwork	0.184
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lg2
RMSD bond length	0.014
RMSD bond angle	1.907
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]	104.640	2.420	2.130
High resolution limit [Å]	2.020	2.300	2.020
Rmerge	0.056	1.149	0.901
Rmeas	0.060	1.243	0.941
Rpim	0.013	0.354	0.199
Number of reflections	17298	1670	2442
<I/σ(I)>	30.4	2.1	3.9
Completeness [%]	100.0	100	100
Redundancy	21.7	12	22.2
CC(1/2)	1.000	0.685	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	30 mM cadmium nitrate, 1 M ammonium sulfate, 200 mM sodium acetate, pH 5.5
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	30 mM cadmium nitrate, 1 M ammonium sulfate, 200 mM sodium acetate, pH 5.5
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	30 mM cadmium nitrate, 1 M ammonium sulfate, 200 mM sodium acetate, pH 5.5