3KA6

Frog M-ferritin, EED mutant, with cobalt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	F 4 3 2
Unit cell lengths	183.708, 183.708, 183.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.400
R-factor	0.141
Rwork	0.139
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ka3
RMSD bond length	0.025
RMSD bond angle	2.102
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	PHASER
Refinement software	REFMAC (5.4.0077)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge	0.073	0.026	0.880
Total number of observations		23986	69123
Number of reflections	52583
<I/σ(I)>	28.8	18.5	0.9
Completeness [%]	100.0	100	100
Redundancy	12.8	12.6	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	2M MgCl2, 0.1M Bicine pH 9.0, 0.1M CoCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K