8ZBD

Crystal structure of Persulfide Dioxygenase from Beggiatoa leptomitoformis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 41 21 2
Unit cell lengths	66.997, 66.997, 245.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.510 - 2.330
R-factor	0.192
Rwork	0.189
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.984
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.470
High resolution limit [Å]	2.330	2.330
Rmeas	0.270	1.820
Number of reflections	24873	3845
<I/σ(I)>	10.13	1.7
Completeness [%]	99.6
Redundancy	10
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	296	10mg/ml, 8% w/v PEG 4000, 0.2M imidazole malate