8SA9

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP-Oxamate Adduct (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	87.313, 131.511, 82.585
Unit cell angles	90.00, 103.81, 90.00

Refinement procedure

Resolution	26.860 - 1.100
R-factor	0.1252
Rwork	0.125
R-free	0.13700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.023
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]	80.200	1.130
High resolution limit [Å]	1.100	1.100
Rmerge	0.056	1.056
Rmeas	0.061	1.229
Rpim	0.023	0.617
Total number of observations	2207969	59166
Number of reflections	345136	15798
<I/σ(I)>	12.4	1.1
Completeness [%]	94.7
Redundancy	6.4	3.7
CC(1/2)	0.999	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpueus G9: 20%(v/v) PEG 500 MME, 10%(w/v) PEG 20000, 100 mM Tris/BICINE, pH 8.5, 20 mM Sodium formate, 20 mM Ammonium acetate, 20 mM Sodium citrate tribasic, 20 mM Potassium sodium tartrate and 20 mM Sodium oxamate, 2mM PLP added to the protein prior to crystallization, KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13220, well G9 drop 3, Puck: PSL-0416, Cryo: Direct