6CZ9

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

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	2017-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	232.512, 86.306, 147.367
Unit cell angles	90.00, 127.72, 90.00

Refinement procedure

Resolution	39.369 - 1.800
R-factor	0.1426
Rwork	0.142
R-free	0.16940
RMSD bond length	0.005
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.370	1.864
High resolution limit [Å]	1.800	1.800
Rpim	0.032	0.313
Number of reflections	209823	20962
<I/σ(I)>	17.49	2.27
Completeness [%]	98.3	98.89
Redundancy	6.9	7

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), 5 mM sodium arsenite