4LPN

Frog M-ferritin with cobalt, D127E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	F 4 3 2
Unit cell lengths	184.003, 184.003, 184.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.001 - 1.660
R-factor	0.1597
Rwork	0.159
R-free	0.17680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ka4
RMSD bond length	0.020
RMSD bond angle	1.169
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.079	0.047	0.486
Number of reflections	32085
<I/σ(I)>	16.8
Completeness [%]	98.3	99.9	83
Redundancy	18.6	19.3	13.3

Crystallization Conditions

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