6XWL

Cystathionine beta-synthase from Toxoplasma gondii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.98
Spacegroup name	P 31
Unit cell lengths	83.237, 83.237, 420.309
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.136 - 3.201
R-factor	0.2544
Rwork	0.253
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbq
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	420.309	420.309	3.240
High resolution limit [Å]	2.855	9.234	2.855
Rmerge	0.115	0.044	1.299
Rmeas	0.121	0.047	1.371
Rpim	0.038	0.015	0.436
Total number of observations	457518	21505	21374
Number of reflections	44707	2211	2211
<I/σ(I)>	12.4	39.2	1.7
Completeness [%]	89.7	99.9	66.2
Redundancy	10.2	9.7	9.7
CC(1/2)	0.999	0.998	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	291	8% PEG 3350 0.1M MES pH=5.7