6Y21

Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-Cystathionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	83.006, 83.006, 421.373
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.034 - 3.600
R-factor	0.2639
Rwork	0.263
R-free	0.29050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbq
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	210.687	210.686	3.801
High resolution limit [Å]	3.547	10.959	3.547
Rmerge	0.229	0.064	2.695
Rmeas	0.235	0.067	2.769
Rpim	0.055	0.017	0.630
Total number of observations	327391	12439	16808
Number of reflections	17599	878	882
<I/σ(I)>	11.4	32.7	1.4
Completeness [%]	90.8	99.9	51.1
Redundancy	18.6	14.2	19.1
CC(1/2)	0.991	0.990	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	291	9% PEG 3350, 0.1M MES pH 6.1