4XGS

Crystal structure analysis of novel iron uptake mechanism of Gram-negative bacterial ferritin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	193.15
Detector technology	CCD
Collection date	2013-11-15
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	I 4
Unit cell lengths	129.025, 129.025, 172.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.620 - 2.250
R-factor	0.147
Rwork	0.145
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.831
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.108	0.644
Number of reflections	66609
<I/σ(I)>	8.4
Completeness [%]	100.0	100
Redundancy	13.4	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	Ammonium sulfate, HEPES