4U3G

Crystal structure of Escherichia coli bacterioferritin mutant D132F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 42 21 2
Unit cell lengths	208.518, 208.518, 142.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.148 - 2.000
R-factor	0.1916
Rwork	0.190
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y3q
RMSD bond length	0.007
RMSD bond angle	0.897
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.150	49.150	2.030
High resolution limit [Å]	2.000	10.950	2.000
Rmerge	0.110	0.023	0.635
Rpim	0.056	0.010	0.374
Total number of observations	1024612	9693	38570
Number of reflections	209838
<I/σ(I)>	11.2	38	2.1
Completeness [%]	99.7	98.9	99.4
Redundancy	4.9	6.7	3.8
CC(1/2)	0.997	1.000	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium sulfate (50-80% saturated), NaCl (0.1 M), and TrisHCl (20 mM, pH 7.2)