9AXJ

Cystathionine gamma lyase from Thermobifida fusca in an amino crotonate 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	116.946, 116.946, 116.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.012 - 1.500
Rwork	0.137
R-free	0.15600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.890
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]	40.000	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.020	0.930
Number of reflections	84295	4184
<I/σ(I)>	21.2
Completeness [%]	99.0	100
Redundancy	21.6	15.7
CC(1/2)	1.000	0.333

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. Crystals were grown overnight and were soaked with S-methylmethionine iodide