3QB9

Mycobacterium tuberculosis bacterioferritin, BfrA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0972109
Spacegroup name	I 4
Unit cell lengths	124.343, 124.343, 174.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.321 - 2.110
R-factor	0.1842
Rwork	0.178
R-free	0.23630
RMSD bond length	0.007
RMSD bond angle	0.982
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	39.321
High resolution limit [Å]	2.110
Rmerge	0.084
Number of reflections	75962
<I/σ(I)>	13.303
Completeness [%]	99.3
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.8 M NaCl, 100 mM Tris-HCl (pH 8.0), 25 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K