9T6P

Higher-dose (283.1 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	96.542, 96.542, 96.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.109 - 2.008
Rwork	0.156
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.697
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]	29.117	2.051
High resolution limit [Å]	2.016	2.016
Rmerge	0.402	3.650
Rmeas	0.417	3.700
Rpim	0.124	1.089
Number of reflections	20090	6878
<I/σ(I)>	5.8	0.8
Completeness [%]	100.0	100
Redundancy	11.2	11.4
CC(1/2)	0.991	0.350

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).