7APY

Pseudomonas stutzeri nitrous oxide reductase mutant, D576A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.36999
Spacegroup name	P 1 21 1
Unit cell lengths	68.964, 76.627, 108.563
Unit cell angles	90.00, 93.41, 90.00

Refinement procedure

Resolution	68.842 - 1.778
R-factor	0.1687
Rwork	0.166
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rkz
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.842	1.947
High resolution limit [Å]	1.778	1.783
Rmerge	0.181
Number of reflections	76965	3849
<I/σ(I)>	7.6
Completeness [%]	90.3
Redundancy	7.1
CC(1/2)	0.990	0.433

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)