9E1Z
[F:Hg2+:T] Mercury base pair with 2-thiothymidine and thymine
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 | 2023-12-04 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92009 |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.148, 105.148, 94.504 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.940 - 5.060 |
| R-factor | 0.2389 |
| Rwork | 0.236 |
| R-free | 0.29020 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.001 |
| 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] | 65.573 | 65.573 | 5.980 |
| High resolution limit [Å] | 5.057 | 10.397 | 5.057 |
| Number of reflections | 2092 | 192 | 192 |
| <I/σ(I)> | 5 | ||
| Completeness [%] | 79.5 | ||
| Redundancy | 4.7 | 4.3 | |
| CC(1/2) | 0.972 | 0.990 | 0.086 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM MOPS, 1.25 M magnesium sulfate |
