8RIN

Crystal structure of EccC5 DUF domain of Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	48.301, 52.236, 57.441
Unit cell angles	88.39, 84.60, 80.17

Refinement procedure

Resolution	57.180 - 2.050
R-factor	0.1866
Rwork	0.185
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.880
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.180	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.055	0.354
Rmeas	0.065	0.432
Rpim	0.035	0.242
Number of reflections	32869	2122
<I/σ(I)>	9.6	2.6
Completeness [%]	95.1
Redundancy	3.5	3.1
CC(1/2)	0.998	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG MME 2000, 0.3 M Trimethylamine N-oxide dihydrate, 0.1 M Tris pH 8