4E6K

2.0 A resolution structure of Pseudomonas aeruginosa bacterioferritin (BfrB) in complex with bacterioferritin associated ferredoxin (Bfd)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 4 21 2
Unit cell lengths	135.005, 135.005, 200.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.731 - 2.000
R-factor	0.154
Rwork	0.152
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3is7
RMSD bond length	0.011
RMSD bond angle	1.185
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (dev_995)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.890	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.089	0.805
Number of reflections	125332
<I/σ(I)>	15.2	3
Completeness [%]	100.0	100
Redundancy	8.9	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.8 M sodium/potassium hydrogen phosphate, pH 7.5, VAPOR DIFFUSION, temperature 293K