5U1B

Ferritin with Gc MtrE loop2 inserted at the N-terminus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	137
Detector technology	IMAGE PLATE
Collection date	2016-10-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	124.514, 124.514, 314.885
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.890 - 2.810
R-factor	0.1797
Rwork	0.177
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bvf
RMSD bond length	0.018
RMSD bond angle	1.653
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.850
High resolution limit [Å]	2.800	7.470	2.800
Rmerge	0.166	0.069	0.796
Number of reflections	41284
<I/σ(I)>	7.1
Completeness [%]	93.4	100	99.9
Redundancy	4.6	4.6	4.5
CC(1/2)		0.984	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	ammonium sulfate, tris