8X0A

Crystal Structure of MftR from mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-08-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97902
Spacegroup name	I 1 2 1
Unit cell lengths	109.750, 81.430, 120.457
Unit cell angles	90.00, 107.36, 90.00

Refinement procedure

Resolution	47.380 - 2.700
Rwork	0.229
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.010
RMSD bond angle	1.899
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	REFMAC (5.8.0350)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.380	2.830
High resolution limit [Å]	2.700	2.700
Number of reflections	27862	3691
<I/σ(I)>	10.9	2.2
Completeness [%]	95.7
Redundancy	3.8	3.9
CC(1/2)	0.996	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.1 M Tris-HCl, and 2 M (NH4)2SO4