4IWJ

Crystal structure of iron soaked (45 min) ferritin from Pseudo-nitzschia multiseries

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 2 3
Unit cell lengths	175.319, 175.319, 175.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.360 - 1.950
R-factor	0.1749
Rwork	0.173
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.060
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.064	0.027	0.528
Number of reflections	129748
<I/σ(I)>	16.1
Completeness [%]	100.0	99.6	100
Redundancy	11.6	14.3	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5		pH 5.5, VAPOR DIFFUSION, HANGING DROP