9QIX

Protein with novel 3_1 knotted solenoid fold

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97624
Spacegroup name	P 63
Unit cell lengths	133.390, 133.390, 53.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.040 - 1.660
R-factor	0.1566
Rwork	0.156
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.883
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.460	1.760
High resolution limit [Å]	1.660	1.660
Rmeas	0.067	2.354
Number of reflections	64464	10291
<I/σ(I)>	25.36	1.12
Completeness [%]	99.9	99.4
Redundancy	20.6	20.71
CC(1/2)	1.000	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Sodium acetate (pH 5), 0.05 M LiCl, 15 % v/v PEG 400, protein solution: 10 mg/ml in 50 mM Tris, 200 mM NaCl, 5% glycerol, pH 8 (at 277 K)