9X1G

Crystal structure of Frog M-ferritin WT_M161Q_L165D_K168E_H169D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	103
Detector technology	CCD
Collection date	2015-05-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97947
Spacegroup name	F 4 3 2
Unit cell lengths	183.850, 183.850, 183.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.010 - 1.500
Rwork	0.133
R-free	0.15400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ka3
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.010	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	43052	2169
<I/σ(I)>	26
Completeness [%]	100.0
Redundancy	19
CC(1/2)	0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2.0 M MgCl2 and 100 mM Bicine (pH 9.0)