5U1A

Ferritin with Gc MtrE loop 1 inserted at His34

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	138
Detector technology	IMAGE PLATE
Collection date	2016-10-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 4
Unit cell lengths	128.412, 128.412, 165.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1695
Rwork	0.168
R-free	0.19610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bvf
RMSD bond length	0.026
RMSD bond angle	2.206
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.030
High resolution limit [Å]	2.000	5.390	2.000
Rmerge	0.138	0.072	0.895
Rmeas	0.153	0.079	0.991
Rpim	0.064	0.033	0.423
Total number of observations	1006245
Number of reflections	179122
<I/σ(I)>	7.5
Completeness [%]	99.8	98.5	100
Redundancy	5.6	5.8	5.4
CC(1/2)		0.995	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	20% glycerol, 1.6 M NaCl, 8% PEG 6000, Hepes