8SF4

Cystathionine gamma lyase from Thermobifida fusca in internal aldimine form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-28
Detector	RAYONIX MX300HE
Wavelength(s)	0.978720
Spacegroup name	P 2 3
Unit cell lengths	117.591, 117.591, 117.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.003 - 1.455
Rwork	0.133
R-free	0.14810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.248
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.003	1.490
High resolution limit [Å]	1.455	1.460
Rmeas	0.075	1.697
Number of reflections	94728	6964
<I/σ(I)>	25.36	2.09
Completeness [%]	100.0	100
Redundancy	22.1	21.3
CC(1/2)	1.000	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Well solution comprising 20-30% PEG300, 0.1 M HEPES, 0.2 M MgCl2. 2 uL drops were laid with a 1:1 mixture of well solution and 8 mg/mL protein in 0.1 M HEPES buffer pH 7.0