9PPO

Zn-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)	1.278
Spacegroup name	P 21 21 21
Unit cell lengths	55.520, 71.390, 75.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.800 - 1.620
R-factor	0.1944
Rwork	0.193
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.732
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]	44.800	1.680
High resolution limit [Å]	1.620	1.622
Rmerge	0.046	0.519
Rmeas	0.048	0.542
Rpim	0.014	0.153
Number of reflections	73610	3808
<I/σ(I)>	26.98	12.2
Completeness [%]	99.8
Redundancy	12.5
CC(1/2)	1.000	0.932

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)