21ET

1'-sugar-tethered cholesterol-modified siRNA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	78.393, 136.611, 44.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.380 - 2.800
R-factor	0.1864
Rwork	0.180
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ay3
RMSD bond length	0.008
RMSD bond angle	1.677
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.400	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	6189	604
<I/σ(I)>	22.37
Completeness [%]	99.8
Redundancy	12.5
CC(1/2)	0.998	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	lithium chloride, MPD, spermine, MOPS