8BAF
Non-canonical quadruplex containing the oxidation product 8-oxoguanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU PhotonJet-R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-22 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 22.035, 58.846, 45.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.790 - 1.600 |
| R-factor | 0.1866 |
| Rwork | 0.186 |
| R-free | 0.19690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mf5 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.037 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.790 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.054 | |
| Rmeas | 0.086 | |
| Rpim | 0.036 | |
| Number of reflections | 4151 | 301 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 99.8 | |
| Redundancy | 5 | |
| CC(1/2) | 0.996 | 0.958 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 291 | 2 ul 40 mM sodium cacodylate, 1 ul 80 mM hexammine (III) cobalt, 1 ul 10% MPD, 2 ul 800 mM potassium chloride, ul 30 mM sodium chloride, 2 ul 1 mM DNA |
