9PNG

Co-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)	1.593
Spacegroup name	P 21 21 21
Unit cell lengths	56.010, 71.280, 75.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.020 - 1.970
R-factor	0.1878
Rwork	0.184
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.746
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	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.072	0.464
Rmeas	0.075	0.488
Rpim	0.021	0.149
Number of reflections	41565	2174
<I/σ(I)>	21.59	4.24
Completeness [%]	99.8	99.86
Redundancy	12.3	10.3
CC(1/2)	0.999	0.942

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)