9DEA

Crystal Structure of C3-threaded

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-05
Detector	DECTRIS EIGER2 S 4M
Wavelength(s)	1.00005
Spacegroup name	I 2 3
Unit cell lengths	72.649, 72.649, 72.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.660 - 2.870
R-factor	0.2409
Rwork	0.238
R-free	0.27220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.685
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.320	3.100
High resolution limit [Å]	2.870	2.870
Rmerge	0.172	1.826
Rpim	0.029	0.302
Number of reflections	1542	305
<I/σ(I)>	19.8	2.8
Completeness [%]	100.0	100
Redundancy	38	38
CC(1/2)	0.999	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	10 % v/v PEG 400, 0.05 M MES pH 6, 0.1 M Potassium chloride and 2 mM Magnesium chloride hexahydrate