3KA9

Frog M-ferritin, EEH 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	183.452, 183.452, 183.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.450
R-factor	0.131
Rwork	0.129
R-free	0.16500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ka3
RMSD bond length	0.027
RMSD bond angle	1.949
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	1.530
High resolution limit [Å]	1.450	4.590	1.450
Rmerge	0.088	0.030	0.798
Total number of observations		25288	102510
Number of reflections	47219
<I/σ(I)>	25.3	13.5	1
Completeness [%]	100.0	100	100
Redundancy	15.6	14.8	15.1

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