6Z93

[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	C 1 2 1
Unit cell lengths	134.381, 85.812, 39.512
Unit cell angles	90.00, 93.92, 90.00

Refinement procedure

Resolution	29.030 - 1.505
R-factor	0.1692
Rwork	0.168
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z92
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS (Jan 31, 2020 (BUILT 20200131))
Data scaling software	STARANISO (2.3.20)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.270	1.700
High resolution limit [Å]	1.500	1.500
Rmerge	0.093	1.147
Rmeas	0.100	1.239
Number of reflections	42459	2123
<I/σ(I)>	6.8	1.7
Completeness [%]	89.5	56.9
Redundancy	6.8	7
CC(1/2)	0.998	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	10 mM MgCl2, 0.1 M MES, pH 5.5, 7-9% PEG 6000