7PD2

Crystal structure of the substrate-free radical SAM tyrosine lyase ThiH (2-iminoacetate synthase) from Thermosinus carboxydivorans

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	2020-03-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	175.090, 49.330, 85.210
Unit cell angles	90.00, 96.91, 90.00

Refinement procedure

Resolution	47.460 - 1.990
R-factor	0.2318
Rwork	0.230
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pd1
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.460	2.040
High resolution limit [Å]	1.990	1.990
Number of reflections	94609	6300
<I/σ(I)>	6.11
Completeness [%]	97.0
Redundancy	6.1
CC(1/2)		0.230

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.4-1.6 M (NH4)2SO4, 100 mM MES buffer pH 6.5, 15% dioxane