7QXK

As isolated MSOX movie series dataset 1 (0.4 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	107.215, 107.215, 107.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.990 - 1.350
R-factor	0.12467
Rwork	0.124
R-free	0.14472
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zas
RMSD bond length	0.017
RMSD bond angle	2.077
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]	47.990	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.036	0.331
Rmeas	0.036	0.418
Rpim	0.015	0.252
Number of reflections	88206	3776
<I/σ(I)>	25.5	2.7
Completeness [%]	98.1	84.8
Redundancy	5.7	2.3
CC(1/2)	1.000	0.824

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