8SAC

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes (P21212 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	P 21 21 2
Unit cell lengths	105.848, 190.810, 79.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.860 - 1.800
R-factor	0.1662
Rwork	0.165
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.600
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]	105.850	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.095	1.946
Rmeas	0.099	2.023
Rpim	0.027	0.549
Total number of observations	2018010	146043
Number of reflections	148640	10851
<I/σ(I)>	15.5	1.3
Completeness [%]	100.0
Redundancy	13.6	13.5
CC(1/2)	0.999	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Crystal Screen HT B10: 30% PEG 4000, 0.10 M Tris, pH 8.5, 0.20 M Sodium Acetate. KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13167, well B10 drop 2, Puck: PSL-0509, Cryo: Direct