9D6Q

[F:Au+:F-pH5] Gold base pair with 2-thiothymidine homopair at pH 5.0

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	2024-03-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	H 3
Unit cell lengths	109.346, 109.346, 91.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.640 - 6.770
R-factor	0.1889
Rwork	0.189
R-free	0.19530
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	1.280
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.640	19.637	8.176
High resolution limit [Å]	6.770	9.981	6.770
Number of reflections	1136	190	190
<I/σ(I)>	4.3		1.1
Completeness [%]	85.4
Redundancy	4
CC(1/2)	0.972	0.967	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	100 mM MOPS, 1.25 M magnesium sulfate