9CKM

The 24mer DNA Duplex 5'-GCTGGAAAGTTTAAACTTTCCAGC-3' Bound by the Diamidine DB2457 at Single G Sites

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977410
Spacegroup name	H 3 2
Unit cell lengths	39.280, 39.280, 480.772
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.930 - 1.680
R-factor	0.217
Rwork	0.213
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.019
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]	33.930	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.067	0.685
Rmeas	0.069	0.710
Rpim	0.018	0.186
Number of reflections	17320	1676
<I/σ(I)>	24.52	3.63
Completeness [%]	99.7	99.34
Redundancy	14.1	14.2
CC(1/2)	1.000	0.972

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