8RGC

High pH (8.0) nitrite-bound MSOX movie series dataset 10 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [6.8 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	2023-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.775
Spacegroup name	P 21 3
Unit cell lengths	107.310, 107.310, 107.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.550
R-factor	0.14709
Rwork	0.146
R-free	0.17072
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.956
Data reduction software	xia2
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.990	1.580
High resolution limit [Å]	1.550	1.550
Rpim	0.037
Number of reflections	59803	2930
<I/σ(I)>	13.3	0.8
Completeness [%]	100.0	100
Redundancy	19.9
CC(1/2)	0.999	0.288

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