4ML5

one minute iron loaded frog M ferritin mutant H54Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.954
Spacegroup name	F 4 3 2
Unit cell lengths	184.230, 184.230, 184.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.710 - 1.220
R-factor	0.13976
Rwork	0.139
R-free	0.15352
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ka3
RMSD bond length	0.004
RMSD bond angle	1.037
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.510	22.510	1.290
High resolution limit [Å]	1.220	3.860	1.220
Rmerge	0.082	0.035	0.375
Number of reflections	79449
<I/σ(I)>	17.9	38.3	5.1
Completeness [%]	100.0	99.5	100
Redundancy	13.5	13.3	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	1.6-2M magnesium chloride, 0.1M bicine, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	9	277	1.6-2M magnesium chloride, 0.1M bicine, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 277K