7AQ5

Pseudomonas stutzeri nitrous oxide reductase mutant, H583N

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	2019-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.369980
Spacegroup name	P 1 21 1
Unit cell lengths	69.289, 76.452, 109.485
Unit cell angles	90.00, 93.38, 90.00

Refinement procedure

Resolution	62.647 - 1.700
R-factor	0.1632
Rwork	0.161
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rkz
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.647	1.853
High resolution limit [Å]	1.700	1.705
Number of reflections	98286	4915
<I/σ(I)>	9.9
Completeness [%]	94.4
Redundancy	6.6
CC(1/2)	0.993	0.383

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)