8SAA

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP and phosphate bound (C2 form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	87.092, 131.708, 82.624
Unit cell angles	90.00, 104.41, 90.00

Refinement procedure

Resolution	33.480 - 1.450
R-factor	0.1442
Rwork	0.143
R-free	0.16010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.901
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_4906: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.030	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.072	1.308
Rmeas	0.078	1.417
Rpim	0.029	0.539
Total number of observations	1088962	77576
Number of reflections	156782	11427
<I/σ(I)>	12.3	1.5
Completeness [%]	98.7
Redundancy	6.9	6.8
CC(1/2)	0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpueus C9: 20%(v/v) PEG 500 MME, 10%(w/v) PEG 20000, 100 mM Tris/BICINE, pH 8.5, 30 mM NaNO3, 30 mM Na2HPO4 and 30 mM (NH4)2SO4, 2mM PLP and 2mM Arginine added to the protein prior to crystallization, KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13220, well C9 drop 3, Puck: PSL-0505, Cryo: Direct