6RKZ

Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II

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	2018-03-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.36999
Spacegroup name	P 1 21 1
Unit cell lengths	68.887, 76.789, 108.823
Unit cell angles	90.00, 93.33, 90.00

Refinement procedure

Resolution	59.696 - 1.601
R-factor	0.1539
Rwork	0.152
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sbq
RMSD bond length	0.010
RMSD bond angle	1.097
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.790	1.790
High resolution limit [Å]	1.600	1.600
Number of reflections	190846	97861
<I/σ(I)>	14
Completeness [%]	92.2
Redundancy	7

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)