8JUI

Crystal structures of Cystathionine beta lyase from Bacillus cereus ATCC 14579

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-05-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 62 2 2
Unit cell lengths	143.100, 143.100, 80.907
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.740 - 2.200
R-factor	0.18343
Rwork	0.181
R-free	0.23291
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7d7o
RMSD bond length	0.010
RMSD bond angle	1.607
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.069	0.055	0.298
Rmeas	0.070	0.056	0.302
Rpim	0.011	0.011	0.046
Number of reflections	25215	1383	1234
<I/σ(I)>	14
Completeness [%]	99.9	97.5	100
Redundancy	41.6	32.8	42
CC(1/2)	1.000	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Lithium citrate tribasic tetrahydrate