7PD1

Crystal structure of the L-tyrosine-bound 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 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	175.090, 48.850, 85.410
Unit cell angles	90.00, 97.02, 90.00

Refinement procedure

Resolution	47.030 - 1.270
R-factor	0.1509
Rwork	0.150
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r34
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.030	1.350
High resolution limit [Å]	1.270	1.270
Number of reflections	188955	29885
<I/σ(I)>	11.56
Completeness [%]	99.9
Redundancy	6.8

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