4ITT

Crystal structure of iron soaked (5 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	175.283, 175.283, 175.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.550 - 2.100
R-factor	0.1784
Rwork	0.176
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.894
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.075	0.030	0.371
Number of reflections	104263
<I/σ(I)>	12.5
Completeness [%]	100.0	99.8	100
Redundancy	13	14.3	10.3

Crystallization Conditions

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