7QY4

As isolated MSOX movie series dataset 5 (2 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-06
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.99999
Spacegroup name	P 21 3
Unit cell lengths	107.250, 107.250, 107.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.010 - 1.350
R-factor	0.12468
Rwork	0.124
R-free	0.14318
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qxk
RMSD bond length	0.017
RMSD bond angle	2.089
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.010	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.036	0.357
Rmeas	0.040	0.452
Rpim	0.015	0.273
Number of reflections	88290	3917
<I/σ(I)>	25	2.6
Completeness [%]	98.1	84.7
Redundancy	5.7	2.3
CC(1/2)	1.000	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	297	1.8 M (NH4)2SO2 and 50mM HEPES buffer pH 5