5VE4

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

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	2016-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 65 2 2
Unit cell lengths	84.504, 84.504, 549.379
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.876 - 2.650
R-factor	0.233
Rwork	0.232
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ve3
RMSD bond length	0.007
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.876	46.876	2.810
High resolution limit [Å]	2.650	7.840	2.650
Rmerge	0.126	0.047	1.229
Rmeas	0.135	0.050	1.306
Total number of observations	305449
Number of reflections	35549	1609	5556
<I/σ(I)>	11.59	33.59	1.9
Completeness [%]	99.8	98.7	99.9
Redundancy	8.592	7.283	8.65
CC(1/2)	0.997	0.998	0.906

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