8OQM

Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10

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	2019-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.968619
Spacegroup name	C 1 2 1
Unit cell lengths	247.918, 134.911, 119.214
Unit cell angles	90.00, 110.62, 90.00

Refinement procedure

Resolution	48.290 - 3.200
R-factor	0.2058
Rwork	0.204
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.446
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.320	3.280
High resolution limit [Å]	3.200	3.200
Number of reflections	60500	4352
<I/σ(I)>	5.9
Completeness [%]	99.5
Redundancy	3.8
CC(1/2)	0.986	0.241

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