6CZA

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

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	232.397, 86.366, 147.429
Unit cell angles	90.00, 127.61, 90.00

Refinement procedure

Resolution	37.700 - 1.710
R-factor	0.132
Rwork	0.132
R-free	0.15350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000233067
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.700	1.771
High resolution limit [Å]	1.710	1.710
Rpim	0.030	0.311
Number of reflections	245023	23784
<I/σ(I)>	15.71	6.6
Completeness [%]	98.3	95.72
Redundancy	6.9	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	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 phosphate, microseeded; cryo protected in 30% PEG 2000 MME, 100 mM KSCN, 1 M sodium formate, 50 mM MES (pH 6.0), 5 mM disodium phosphate