8RFY

High pH (8.0) as-isolated MSOX movie series dataset 30 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [12.3 MGy]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.775
Spacegroup name	P 21 3
Unit cell lengths	107.620, 107.620, 107.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.790
R-factor	0.17168
Rwork	0.170
R-free	0.21006
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.816
Data reduction software	xia2
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.940	1.830
High resolution limit [Å]	1.790	1.790
Rpim	0.061	0.622
Number of reflections	39378	2325
<I/σ(I)>	7.9	1.4
Completeness [%]	100.0	100
Redundancy	6.6	6.6
CC(1/2)	0.996	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.05 M HEPES pH 5.5, 1.8 M Ammonium Sulphate