9PQ4

Bi-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	2022-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9764
Spacegroup name	P 21 21 21
Unit cell lengths	55.840, 71.750, 76.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.020 - 1.480
R-factor	0.1598
Rwork	0.157
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.574
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]	45.020	1.533
High resolution limit [Å]	1.480	1.480
Rmerge	0.061	0.517
Rmeas	0.064	0.563
Rpim	0.018	0.214
Number of reflections	97318	4638
<I/σ(I)>	24.04	3.19
Completeness [%]	98.8	90.5
Redundancy	11.8	6.3
CC(1/2)	0.999	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	25% PEG 1500, 200 mM CaCl2, 100 mM MES (pH 5.5)