6ZAX

Nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at low dose (0.5 MGy)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8000
Spacegroup name	P 21 3
Unit cell lengths	107.566, 107.566, 107.566
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.150 - 1.480
R-factor	0.1481
Rwork	0.147
R-free	0.17620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6thf
RMSD bond length	0.013
RMSD bond angle	1.954
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.150	1.500
High resolution limit [Å]	1.480	1.480
Rmerge	0.094	1.638
Rpim	0.039	0.667
Number of reflections	65671	4753
<I/σ(I)>	10.8	1.1
Completeness [%]	99.9	98
Redundancy	6.9
CC(1/2)	0.999	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	297	1.6 M (NH4)2SO4 and 50mM HEPES buffer pH5.5