6CZ8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	233.162, 86.344, 148.221
Unit cell angles	90.00, 127.67, 90.00

Refinement procedure

Resolution	39.100 - 1.780
R-factor	0.1376
Rwork	0.137
R-free	0.16810
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	1.844
High resolution limit [Å]	1.780	1.780
Rpim	0.034	0.303
Number of reflections	222359	22113
<I/σ(I)>	15.94	2.35
Completeness [%]	99.8	99.84
Redundancy	6.8	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	10 mg/ml protein, 15% PEG 2000 MME, 150 mM KSCN, 50 mM HEPES (adjusted to pH 7.5 with NaOH), 5 mM disodium arsenate, microseeded; cryo protected in 30% PEG 2000 MME, 100 mM KSCN, 1 M sodium formate, 50 mM MES (pH 6.0), 5 mM disodium arsenate