9K71

Three-dimensional structure of homo-dimer of cystathione beta lyase/PLP from Bacillus cereus(BcPatB)

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	2024-01-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99
Spacegroup name	P 21 21 21
Unit cell lengths	53.421, 84.652, 163.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.330 - 2.280
Rwork	0.229
R-free	0.30970
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.330	2.400
High resolution limit [Å]	2.280	2.280
Rmerge	0.160	0.904
Number of reflections	34049	4764
<I/σ(I)>	10.7
Completeness [%]	98.3
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.2 M Magnesium formate dihydrate (15-25 % w/v) Polyethylene glycol 3350