9TMH

Novel EIGHT fold - protein with 8.3 knot

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97905
Spacegroup name	P 21 21 21
Unit cell lengths	79.349, 102.543, 142.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 2.200
R-factor	0.1937
Rwork	0.191
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.891
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.112	0.992
Rmeas	0.117	1.058
Number of reflections	59400	2899
<I/σ(I)>	22.5	1.1
Completeness [%]	99.7	98.8
Redundancy	13.2	8
CC(1/2)	0.998	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20 mM HEPES pH 7.5, 250 mM NaCl, 1 mM MgCl2 and 1 mM TCEP in 0.2 M Calcium Acetate 0.1 M Tris:HCl pH 7.0 20% (w/v) PEG 3000, 15% Ethylene Glycol