7NL1

Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	195
Detector technology	PIXEL
Collection date	2020-10-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	126.530, 138.991, 472.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.446 - 2.331
R-factor	0.1757
Rwork	0.174
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nmp
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.446	48.446	2.371
High resolution limit [Å]	2.331	6.323	2.331
Rmerge	0.153	0.047	1.192
Rmeas	0.157	0.049	1.223
Rpim	0.036	0.011	0.272
Total number of observations	3461898	163532	178726
Number of reflections	177123	9289	8754
<I/σ(I)>	19	47.5	3.1
Completeness [%]	100.0	99.9	100
Redundancy	19.5	17.6	20.4
CC(1/2)	0.999	0.999	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	12% PEG 3350, 0.1M sodium citrate pH 4.6