7XLY

Crystal structure of FadA2 (Rv0243) from the fatty acid metabolic pathway of Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0723
Spacegroup name	P 32 2 1
Unit cell lengths	109.782, 109.782, 353.112
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.540 - 2.900
R-factor	0.2475
Rwork	0.245
R-free	0.28510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dv2
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.540	3.004
High resolution limit [Å]	2.900	2.900
Rmerge	0.170	1.010
Rpim	0.049	0.350
Number of reflections	55758	5442
<I/σ(I)>	13.92
Completeness [%]	99.2	98.97
Redundancy	2
CC(1/2)	0.999	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1M Tris-HCl, 1.5M Ammonium sulfate