6Z3S

Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with O-Acetylserine

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	2020-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	82.700, 82.700, 422.968
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.615 - 3.048
R-factor	0.2688
Rwork	0.268
R-free	0.28850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbq
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	140.989	140.989	3.325
High resolution limit [Å]	3.048	9.363	3.065
Rmerge	0.719	0.120	11.714
Rmeas	0.742	0.125	12.166
Rpim	0.178	0.032	3.182
Total number of observations		17369	17764
Number of reflections	26412	1320	1322
<I/σ(I)>	8.6	18.7	1.6
Completeness [%]	90.1	99.3	38.3
Redundancy	16.8	13.2	13.4
CC(1/2)	0.969	0.995	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.1	291	10% PEG 3350, 0.1M MES pH 6.1