8U98

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes (PLP-Glycine adduct)

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	2023-08-06
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	166.924, 133.051, 87.494
Unit cell angles	90.00, 105.98, 90.00

Refinement procedure

Resolution	24.820 - 1.400
R-factor	0.1363
Rwork	0.135
R-free	0.16150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5057: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.430	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.052	1.018
Rmeas	0.057	1.100
Rpim	0.021	0.414
Total number of observations	2484245	185109
Number of reflections	359218	26567
<I/σ(I)>	15.4	1.9
Completeness [%]	100.0
Redundancy	6.9	7
CC(1/2)	1.000	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Morpheus E6: 20%(v/v) Ethylene glycol, 10%(w/v) PEG 8000, 100 mM HEPES/MOPS, pH 7.5, 30 mM Diethylene glycol, 30 mM Triethyleneglycol, 30 mM Tetraethylene glycol and 30 mM Pentaethylene glycol, 2mM PLP and glycine added to the protein prior to crystallization, KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13534 well E6 drop 2, Puck: PSL-0903, Cryo: Direct