7AQ2

Pseudomonas stutzeri nitrous oxide reductase mutant, H583A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-20
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.369990
Spacegroup name	P 1 21 1
Unit cell lengths	69.643, 76.501, 108.949
Unit cell angles	90.00, 93.12, 90.00

Refinement procedure

Resolution	69.540 - 1.683
R-factor	0.1645
Rwork	0.163
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rkz
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]	76.501	1.816
High resolution limit [Å]	1.683	1.683
Number of reflections	101438	5072
<I/σ(I)>	14.7
Completeness [%]	92.4
Redundancy	6.8
CC(1/2)	0.999	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M bis-tris propane buffer at pH 8.5, 0.1 M sodium formate, 0.1 M sodium chloride, and 25% (w/v) of a medium molecular weight (MMW) polyethylene glycol mixture (PEG 2K, 3350, 4K and 5K MME)