6TSS

Crystal structure of horse L ferritin (HoLf) 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 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	181.281, 181.281, 181.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	104.660 - 2.180
Rwork	0.197
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lg2
RMSD bond length	0.014
RMSD bond angle	1.764
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]	104.660	2.610	2.300
High resolution limit [Å]	2.180	2.480	2.180
Rmerge	0.084	1.377	1.092
Rmeas	0.089	1.449	1.138
Rpim	0.019	0.337	0.241
Number of reflections	13865	1364	1952
<I/σ(I)>	21.8	2.1	3.3
Completeness [%]	100.0	100	100
Redundancy	21.6	20.1	22
CC(1/2)	1.000	0.788	0.863

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