9PPR

Zn- and Bi-bound structure of the H77C variant of TriCyt2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.278
Spacegroup name	P 21 21 21
Unit cell lengths	55.750, 70.860, 75.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.840 - 1.570
R-factor	0.1871
Rwork	0.185
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.109
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]	44.840	1.631
High resolution limit [Å]	1.570	1.575
Number of reflections	79015	3916
<I/σ(I)>	28.45	2.52
Completeness [%]	98.7	94.98
Redundancy	12.6
CC(1/2)	1.000	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	18% PEG 1500, 200 mM CaCl2, 100 mM HEPES (pH 8.5)