6VJU

Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	65.350, 91.790, 93.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.220 - 1.300
R-factor	0.1489
Rwork	0.148
R-free	0.17990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4coo
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.220	41.220	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.051	0.029	0.535
Rmeas	0.056	0.032	0.599
Total number of observations	729374
Number of reflections	138423	1654	10186
<I/σ(I)>	15.68	38.61	2.56
Completeness [%]	99.7	95.3	99.9
Redundancy	5.269	4.912	4.999
CC(1/2)	0.999	0.998	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	LepnA.01147.a.B1.PW38321 was crystallized at 19.49 mg/ml with 4 mM PLP, 4 mM serine, and 4 mM homocysteine and mixed 1:1 with 0.1 M ammonium acetate, 0.1 M Bis-Tris HCl pH 5.5, and 17% (w/v) PEG 10000. Cryo: 25% EG with 4 mM each ligand. Tray 3295506c1: puck mhb1-1