8HCZ

N-terminal domain structure of mycobacterium tuberculosis FadD23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	66.924, 72.595, 90.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.400 - 1.480
R-factor	0.1464
Rwork	0.145
R-free	0.16860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e53
RMSD bond length	0.012
RMSD bond angle	1.127
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.400	1.570
High resolution limit [Å]	1.480	1.480
Number of reflections	73763	72121
<I/σ(I)>	7.97
Completeness [%]	97.8
Redundancy	6.9
CC(1/2)	0.980	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	70mM Bis-Tris pH6.5, 60mM Sodium chloride, 20% (w/v) polyethylene glycol 3,350, 6%(w/v) polyethylene glycol 6,000