9OL3
DNA-imidazolium-bridged dinucleotide intermediate complex
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 99 |
| Detector technology | PIXEL |
| Collection date | 2022-04-23 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 1.033175 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 48.241, 48.241, 82.663 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.778 - 1.557 |
| Rwork | 0.204 |
| R-free | 0.24940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.933 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.590 |
| High resolution limit [Å] | 1.557 | 1.557 |
| Rmerge | 0.052 | 0.438 |
| Rmeas | 0.057 | 0.498 |
| Rpim | 0.023 | 0.231 |
| Number of reflections | 15265 | 433 |
| <I/σ(I)> | 49.6 | 2.6 |
| Completeness [%] | 92.4 | 55.2 |
| Redundancy | 6.5 | 3.7 |
| CC(1/2) | 0.988 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.05 M HEPES pH 7.0, 0.2 M Ammonium acetate, 0.15 M Magnesium acetate, 10% w/v Polyethylene glycol 6,000. |
