3KA3

Frog M-ferritin with magnesium

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	183.886, 183.886, 183.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.400
R-factor	0.137
Rwork	0.136
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	2.141
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	0.088	0.038	0.969
Total number of observations		23618	103581
Number of reflections	52741
<I/σ(I)>	21.2	10.7	0.8
Completeness [%]	100.0	100	100
Redundancy	13.6	12.4	13.7

Crystallization Conditions

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