6CZ7

The arsenate respiratory reductase (Arr) complex from Shewanella sp. ANA-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	231.259, 85.639, 146.676
Unit cell angles	90.00, 127.84, 90.00

Refinement procedure

Resolution	46.910 - 1.620
R-factor	0.1376
Rwork	0.137
R-free	0.15470
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.910	1.678
High resolution limit [Å]	1.620	1.620
Rpim	0.031	0.320
Number of reflections	286352	28526
<I/σ(I)>	17.77	2.4
Completeness [%]	99.9	99.99
Redundancy	6.8	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293	10 mg/ml protein, 15% PEG 2000 MME, 150 mM KSCN, 50 mM HEPES (adjusted to pH 7.5 with NaOH), microseeded; cryoprotected in 30% PEG 2000 MME, 100 mM KSCN, 1 M sodium formate, 50 mM HEPES (pH 7.5)