9YDK

Dickerson dodecamer RNA duplex containing a modified base with a 2-F-6-aminopurine/G mismatch.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-14
Detector	Bruker PHOTON III
Wavelength(s)	1.3412
Spacegroup name	C 1 2 1
Unit cell lengths	40.156, 35.022, 31.212
Unit cell angles	90.00, 128.09, 90.00

Refinement procedure

Resolution	15.800 - 1.120
R-factor	0.1653
Rwork	0.164
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.509
Data reduction software	SAINT
Data scaling software	PROTEUM PLUS
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.800	1.160
High resolution limit [Å]	1.120	1.120
Number of reflections	13040	1233
<I/σ(I)>	12.46
Completeness [%]	98.6
Redundancy	8.7
CC(1/2)	0.998	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	drops containing 300nl 1 mM RNA and 300nl 10% 2-methyl-2,4-pentanediol (MPD), 40 mM sodium cacodylate, pH 7.0, 12 mM spermine 4HCl, 80 mM potassium chloride, 20 mM magnesium chloride and reservoir containing 40% MPD