9CCK

Multi-copper oxidase with a C-terminal cupredoxin domain from Nitrosopumilus maritimus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	173.292, 92.976, 204.483
Unit cell angles	90.00, 95.79, 90.00

Refinement procedure

Resolution	84.560 - 1.840
R-factor	0.2002
Rwork	0.199
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	138.610	1.870
High resolution limit [Å]	1.840	1.840
Rmeas	0.355
Rpim	0.135
Number of reflections	556905	27367
<I/σ(I)>	1.31	0.9
Completeness [%]	99.1	99.3
Redundancy	3.5
CC(1/2)	0.983	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	potassium phosphate dibasic, BIS-TRIS propane, ammonium sulfate