7AQ9

Pseudomonas stutzeri nitrous oxide reductase mutant, H583W

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	2018-11-24
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.36998
Spacegroup name	P 1 21 1
Unit cell lengths	69.385, 76.378, 108.565
Unit cell angles	90.00, 93.37, 90.00

Refinement procedure

Resolution	51.309 - 1.585
R-factor	0.1583
Rwork	0.156
R-free	0.19930
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]	69.265	1.756
High resolution limit [Å]	1.585	1.590
Number of reflections	109368	5467
<I/σ(I)>	12.5
Completeness [%]	95.1
Redundancy	6.5
CC(1/2)	0.999	0.699

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)