6CJA

Crystal structure of Cystathionine beta-lyase from Legionella pneumophila Philadelphia 1 in complex with Alanyl-PLP and Serine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-24
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	96.170, 97.110, 175.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.803 - 1.700
R-factor	0.141
Rwork	0.141
R-free	0.16800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LLP bound structure
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((dev_3026))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.803	46.803	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.073	0.037	0.497
Rmeas	0.077	0.038	0.569
Number of reflections	180706	2230	13141
<I/σ(I)>	18.16	48.19	2.31
Completeness [%]	99.9	99.5	99.2
Redundancy	9.086	13.495	4.272
CC(1/2)	0.999	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	285	Molecular Dimensions Morpheus screen H11: 10% w/v PEG 4000, 20% v/v glycerol: 20mM of each sodium L-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine: 100mM bicine/Trizma base pH 8.5: LepnA.00906.a.B1.PS38320 at 18.01mg/ml: cryo: direct: tray 295502 H11: puck MWL3-7