8OQU

Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	C 1 2 1
Unit cell lengths	249.462, 134.892, 119.476
Unit cell angles	90.00, 110.47, 90.00

Refinement procedure

Resolution	116.860 - 2.890
R-factor	0.1818
Rwork	0.180
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.460
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	116.860	3.170
High resolution limit [Å]	2.890	2.890
Number of reflections	64333	5362
<I/σ(I)>	8.5
Completeness [%]	93.2
Redundancy	6.9
CC(1/2)	0.992	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	2 M Ammonium Sulfate, 0.1M Tris pH 8.5