9T6O

Low-dose (14.9 kGy) structure of copper-containing nitrite reductase from Achromobacter cycloclastes at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	293
Detector technology	PIXEL
Collection date	2025-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 3
Unit cell lengths	96.472, 96.472, 96.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.865 - 1.597
Rwork	0.149
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.629
Data reduction software	XDS (Jan 19, 2025 (BUILT 20250430))
Data scaling software	Aimless (0.8.2)
Phasing software	REFMAC (5.8.0430)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.756	1.633
High resolution limit [Å]	1.605	1.605
Rmerge	0.041	3.652
Rmeas	0.248	3.896
Rpim	0.074	1.148
Number of reflections	39308	1939
<I/σ(I)>	7	0.6
Completeness [%]	100.0	100
Redundancy	11.2	11.5
CC(1/2)	0.995	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.75	293	Crystals were grown using the vapor diffusion hanging drop method with a protein concentration of 10 mg/ml. The reservoir solution consisted of 1.6 M ammonium sulfate and 0.1 M sodium acetate (pH 4.75).