8TNV

Hemocyanin Functional Unit CCHB-g of Concholepas concholepas

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9772
Spacegroup name	P 21 21 21
Unit cell lengths	75.682, 103.368, 119.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.410 - 1.500
R-factor	0.169
Rwork	0.166
R-free	0.18600
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.076
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.410	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.123	1.411
Rmeas	0.128	1.466
Rpim	0.035	0.393
Number of reflections	149523	14807
<I/σ(I)>	14.47	2.24
Completeness [%]	99.9	99.99
Redundancy	13.2	13.8
CC(1/2)	0.999	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	Protein condition: Protein 3 mg/mL, 20 mM Imidazole-HCl pH 6.0, and 300 mM NaCl. Reservoir condition: 20% w/V PEGMME 2000 and 150 mM KBr.