9T6Q

Low-dose (33.3 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	95.352, 95.352, 95.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.750 - 1.465
Rwork	0.155
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.669
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]	27.530	1.489
High resolution limit [Å]	1.464	1.464
Rmerge	0.219	2.611
Rmeas	0.210	2.306
Rpim	0.062	0.729
Number of reflections	49834	2426
<I/σ(I)>	9.1	1
Completeness [%]	99.9	98.1
Redundancy	11.2	9.2
CC(1/2)	0.997	0.354

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).