8SA7

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes (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	87.291, 131.297, 82.686
Unit cell angles	90.00, 104.26, 90.00

Refinement procedure

Resolution	26.440 - 1.400
R-factor	0.1405
Rwork	0.140
R-free	0.15820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.095
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]	71.120	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.065	1.382
Rmeas	0.070	1.488
Rpim	0.026	0.549
Total number of observations	1209660	89113
Number of reflections	170459	12326
<I/σ(I)>	12.9	1.5
Completeness [%]	96.6
Redundancy	7.1	7.2
CC(1/2)	0.999	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpueus B9: 20%(v/v) PEG 500 MME, 10%(w/v) PEG 20000, 100 mM Tris/BICINE, pH 8.5, 30 mM NaF, 30 mM NaBr and 30 mM NaI. 2mM PLP and 2mM Lysine added to protein prior to crystallization, KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13219 well B9 drop 3, Puck: PSL-0408, Cryo: Direct