9CEN

Structure of the thiocysteine lyase (SH) domain from guangnanmycin A biosynthetic pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-27
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	68.963, 89.555, 70.012
Unit cell angles	90.00, 108.15, 90.00

Refinement procedure

Resolution	40.770 - 1.800
R-factor	0.148
Rwork	0.147
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ycn
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.770	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.044	0.231
Rmeas	0.058	0.282
Rpim	0.031	0.158
Number of reflections	73808	7229
<I/σ(I)>	13.73
Completeness [%]	98.5	96.59
Redundancy	3.26
CC(1/2)	0.998	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	0.2 M Sodium Acetate, 0.1 M Tris:HCl, pH 8.5, 30% (w/v) PEG 4000