9D6T

[F:Au+:F-pH10] Gold base pair with 2-thiothymidine homopair at pH 10.0

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)	0.92010
Spacegroup name	H 3
Unit cell lengths	106.707, 106.707, 87.722
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.810 - 4.820
R-factor	0.1749
Rwork	0.172
R-free	0.21840
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.883
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]	19.812	19.812	5.585
High resolution limit [Å]	4.817	9.459	4.817
Number of reflections	2520	212	212
<I/σ(I)>	6.4
Completeness [%]	84.9
Redundancy	5.4
CC(1/2)	0.994	0.992	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	298	100 mM MOPS, 1.25 M magnesium sulfate