9T6U

Higher-dose (1332 kGy) structure of copper-containing nitrite reductase from Achromobacter cycloclastes at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 3
Unit cell lengths	95.375, 95.375, 95.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.757 - 1.500
Rwork	0.153
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.652
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]	28.764	1.530
High resolution limit [Å]	1.504	1.504
Rmerge	0.227	3.054
Rmeas	0.206	2.032
Rpim	0.061	0.617
Number of reflections	46178	2339
<I/σ(I)>	9.4	1.2
Completeness [%]	100.0	100
Redundancy	11.2	10.6
CC(1/2)	0.997	0.506

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).