9DCL

[2Fe-2S] SufU from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	I 4
Unit cell lengths	100.118, 100.118, 31.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.420 - 1.950
Rwork	0.179
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.289
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0349)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.420	2.050
High resolution limit [Å]	1.950	1.950
Number of reflections	11785	796
<I/σ(I)>	7.8
Completeness [%]	100.0	100
Redundancy	27.3
CC(1/2)	0.995	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.2 M calcium acetate hydrate, 0.1 M sodium cacodylate pH 6.5, 40% v/v PEG 3000