7UQ0

Putative periplasmic iron siderophore binding protein FecB (Rv3044) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	138.650, 87.070, 71.730
Unit cell angles	90.00, 104.15, 90.00

Refinement procedure

Resolution	43.540 - 2.000
R-factor	0.1922
Rwork	0.189
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tny
RMSD bond length	0.004
RMSD bond angle	0.629
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.540	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	1.039
Number of reflections	105296	5381
<I/σ(I)>	6.28
Completeness [%]	97.2	93.76
Redundancy	2	2
CC(1/2)	0.539	0.008

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.8	298	0.1 M Phosphate-citrate pH 3.8, 26% PEG 8000, 0.2 M NaCl