8SAE

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP and Hepes 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	87.064, 130.902, 82.402
Unit cell angles	90.00, 104.40, 90.00

Refinement procedure

Resolution	79.810 - 1.500
R-factor	0.1625
Rwork	0.162
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.944
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]	79.810	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.069	1.447
Rmeas	0.074	1.559
Rpim	0.028	0.576
Total number of observations	987158	73152
Number of reflections	140067	10181
<I/σ(I)>	14.6	1.5
Completeness [%]	98.5
Redundancy	7	7.2
CC(1/2)	1.000	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Berkeley F8: 55% MPD, 100 mM HEPES, pH 7.5. KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13119, well F8 drop 3, Puck: PSL-0911, Cryo: Direct