9RDS

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 31 2 1
Unit cell lengths	57.690, 57.690, 70.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.850 - 1.220
R-factor	0.1312
Rwork	0.130
R-free	0.15620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.107
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]	40.760	1.290
High resolution limit [Å]	1.220	1.220
Rmeas	0.082	1.583
Number of reflections	40919	6516
<I/σ(I)>	13.78	1.22
Completeness [%]	100.0	100
Redundancy	9.86	9.54
CC(1/2)	1.000	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M Sodium acetate (pH 4.5), 0.2M Li2SO4, 30%w/v PEG8000, protein solution 10 mg/ml in 50 mM Tris, 200 mM NaCl, 5% glycerol, ph 8 (at 277 K)