9PPN

Cu-bound structure of the H77C variant of TriCyt2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.369
Spacegroup name	P 21 21 21
Unit cell lengths	55.630, 71.080, 75.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.810 - 1.870
R-factor	0.1842
Rwork	0.181
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.678
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.810	1.937
High resolution limit [Å]	1.870	1.870
Rmerge	0.086
Rmeas	0.090
Rpim	0.025	0.320
Number of reflections	48138	2473
<I/σ(I)>	20.83	2.33
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.999	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	21% PEG 1500, 200 mM CaCl2, 100 mM MES (pH 5.5)