6XYL

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 31
Unit cell lengths	82.441, 82.441, 421.254
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.025 - 3.151
R-factor	0.2751
Rwork	0.274
R-free	0.29450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbq
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.14)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.810	46.810	3.240
High resolution limit [Å]	3.150	13.370	3.150
Rmerge	0.322	0.058	2.136
Rmeas	0.345	0.063	2.277
Rpim	0.121	0.023	0.783
Total number of observations	454379	5083	37816
Number of reflections	55218	722	4518
<I/σ(I)>	8.7	19.7	2
Completeness [%]	99.7	97.1	99.7
Redundancy	8.2	7	8.4
CC(1/2)	0.984	0.996	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	7% PEG 3350, 0.1M MES pH 5.5