6ZS7

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

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	2020-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	P 31
Unit cell lengths	82.302, 82.302, 415.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.430 - 3.500
R-factor	0.2718
Rwork	0.271
R-free	0.28140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbq
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.18)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	138.660	138.660	3.369
High resolution limit [Å]	3.178	8.982	3.178
Rmerge	0.367	0.061	2.127
Rmeas	0.389	0.064	2.232
Rpim	0.125	0.020	0.675
Total number of observations	472238	22562	25453
Number of reflections	46649	2332	2331
<I/σ(I)>	10.4	27.8	1.4
Completeness [%]	91.0	99.8	34.7
Redundancy	10.1	9.7	10.9
CC(1/2)	0.977	0.996	0.411

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