9SOJ

Protein with novel 3_1 knotted solenoid fold

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	82.090, 82.302, 88.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.820 - 1.900
R-factor	0.1653
Rwork	0.163
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.510	1.990
High resolution limit [Å]	1.880	1.880
Number of reflections	49168	7708
<I/σ(I)>	12.81	2.26
Completeness [%]	99.7
Redundancy	12.79
CC(1/2)	0.997	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0,1 M BICINE pH 9.0; 25% (w/v) PEG 3350 protein solution 7 mg/ml in 50 mM Tris, 200 mM NaCl, 5% glycerol, pH 8 (at 277 K)