5VE5

Crystal structure of persulfide dioxygenase rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans in complex with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 65 2 2
Unit cell lengths	83.503, 83.503, 547.609
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.656 - 2.350
R-factor	0.1989
Rwork	0.197
R-free	0.25200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5ve4
RMSD bond length	0.013
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.558	46.558	2.490
High resolution limit [Å]	2.340	6.960	2.340
Rmerge	0.126	0.050	1.393
Rmeas	0.134	0.053	1.476
Total number of observations	424862
Number of reflections	49143	2151	7694
<I/σ(I)>	10.98	35.49	1.75
Completeness [%]	99.6	98	99
Redundancy	8.645	7.915	9.156
CC(1/2)	0.998	0.998	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M imidazole, pH 8.0, 0.12 M sodium chloride, 25% PEG8000, 5 mM GSH