9DEC

Crystal Structure of D9-threaded

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97936
Spacegroup name	I 2 2 2
Unit cell lengths	67.973, 69.276, 84.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.860 - 2.040
R-factor	0.2276
Rwork	0.222
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.456
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]	31.860	2.150
High resolution limit [Å]	2.040	2.040
Rmerge	0.159	2.387
Rpim	0.530	0.782
Number of reflections	13040	1879
<I/σ(I)>	8.3	1.2
Completeness [%]	100.0	100
Redundancy	10.9	11.2
CC(1/2)	0.996	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	21 % w/v PEG 3350, 0.1 M MES pH 6.0 and 0.15 M Sodium chloride