9JWC

Three-dimensional structure of homo-dimer of cystathione beta lyase/PLP/+L-alliin complex from lactobacillus delbrueckii(LdPatB)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	CCD
Collection date	2024-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97907
Spacegroup name	C 1 2 1
Unit cell lengths	115.102, 92.000, 81.586
Unit cell angles	90.00, 126.05, 90.00

Refinement procedure

Resolution	65.420 - 2.080
Rwork	0.187
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.420	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.062	0.368
Number of reflections	60295	4948
<I/σ(I)>	16.5
Completeness [%]	87.6
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M Magnesium formate dihydrate (15-25 % w/v) Polyethylene glycol 3350