7ETR

Crystal structure of SO_1444-SO_1445 complex from Shewanella oneidensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9788
Spacegroup name	P 43 21 2
Unit cell lengths	85.404, 85.404, 110.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.930 - 3.804
R-factor	0.2895
Rwork	0.287
R-free	0.30780
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.806
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXDE
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.870
High resolution limit [Å]	3.800	3.800
Rmerge	0.195	0.796
Rmeas	0.205	0.752
Rpim	0.048	0.155
Number of reflections	7720	375
<I/σ(I)>	52	7.2
Completeness [%]	100.0	100
Redundancy	20
CC(1/2)	0.991	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350 and 0.2 M tri-sodium citrate