9RF0

Structure of PcuC from Cereibacter sphaeroides in its copper bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	55.660, 55.660, 81.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.040 - 2.743
R-factor	0.2484
Rwork	0.246
R-free	0.29370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.040	2.910
High resolution limit [Å]	2.740	2.740
Number of reflections	3690	574
<I/σ(I)>	13.8
Completeness [%]	99.8
Redundancy	20
CC(1/2)	0.998	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	[PCuAC] = 25 mg/mL + 10 eq Cu(II) 20%PEG6000, 1M LiCl2, 0.1M citric acid pH4