9PNH

Ni-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	2023-05-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.477
Spacegroup name	P 21 21 21
Unit cell lengths	55.960, 71.320, 75.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.990 - 1.840
R-factor	0.1918
Rwork	0.189
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.869
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]	44.990	1.908
High resolution limit [Å]	1.840	1.842
Rmerge	0.059	0.059
Rmeas	0.062	0.062
Rpim	0.018	0.018
Number of reflections	50440	2583
<I/σ(I)>	24.1	3.26
Completeness [%]	99.8	99.8
Redundancy	12.2	11.6
CC(1/2)	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	25% PEG 1500, 200 mM CaCl2, 100 mM HEPES (pH 8.5)