9CJW

The 24mer DNA Duplex 5'-GCTGGAAAGTTTAAACTTTCCAGC-3' Bound by the Diamidine DB2447 at Single G Sites

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920071
Spacegroup name	H 3 2
Unit cell lengths	39.173, 39.173, 479.389
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.770 - 1.640
R-factor	0.2245
Rwork	0.220
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.003
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.770	1.699
High resolution limit [Å]	1.640	1.640
Rmerge	0.055	0.276
Rmeas	0.058	0.292
Rpim	0.020	0.095
Number of reflections	18393	1819
<I/σ(I)>	20.71	4.76
Completeness [%]	99.2	97.49
Redundancy	9.6	9.6
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.62	295	0.8mM stock DNA solution in 7.5 mM HEPES, pH=6.6 buffer mixed 1:1 with well solution containing 10 mM HEPES, pH=8.6, 600 mM CaCl2, 42% PEG200