6CJB

Crystal structure of Cystathionine beta-lyase from Legionella pneumophila Philadelphia 1 covalently bound to Pyridoxal phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-26
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	96.070, 97.060, 176.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.800 - 1.750
R-factor	0.1469
Rwork	0.147
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iy7 teramer as per Morda
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]	46.800	46.800	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.038	0.016	0.510
Rmeas	0.043	0.018	0.630
Number of reflections	166145	2060	11963
<I/σ(I)>	23.82	80.39	2.1
Completeness [%]	99.7	99.2	98.3
Redundancy	4.867	6.65	2.894
CC(1/2)	1.000	1.000	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	285	Molecular Dimensions Morpheus screen G7: 10% PEG 4000, 25% Glycerol, 20mM of each N-formate, trisodium citrate, sodium potassium l-tartrate sodium oxamate: 100M MOPS/HEPES-Na pH 7.5: LepnA.00906.a.B1.PS38320 at 18.01mg/ml + 3mM PLP, 3mM Homocysteine, 3mM Pyruvate: cryo: direct: tray 295496 G7: puck MWL3-10