4ITW

Anaerobic crystal structure of iron soaked (75 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	174.767, 174.767, 174.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.520 - 2.000
R-factor	0.1892
Rwork	0.187
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.955
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.115	0.044	0.658
Number of reflections	119366
<I/σ(I)>	12.2
Completeness [%]	100.0	99.8	100
Redundancy	14.3	14.3	14.2

Crystallization Conditions

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