9P3F

Structure of M. thermoresistible Rv3035 in complex with M. tuberculosis FecB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-21
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	154.882, 154.882, 98.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.800 - 3.350
R-factor	0.2307
Rwork	0.228
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.779
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.800	3.620
High resolution limit [Å]	3.350	3.350
Rmerge	0.258	2.724
Rmeas	0.270	2.853
Rpim	0.078	0.844
Number of reflections	19986	4040
<I/σ(I)>	7.9	1.6
Completeness [%]	99.9	100
Redundancy	22.7	22
CC(1/2)	0.998	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M BIS-TRIS, pH 7.0, 3 M sodium chloride, 3% D-trehalose