8BAE
Copper(II) bound to a non-canonical quadruplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU PhotonJet-R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-24 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 21.954, 58.867, 45.601 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.570 - 1.200 |
| R-factor | 0.1372 |
| Rwork | 0.135 |
| R-free | 0.18190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mf5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.866 |
| Data reduction software | CrysalisPro (42.60a) |
| Data scaling software | CrysalisPro (42.60a) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.570 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 9598 | 473 |
| <I/σ(I)> | 14.7 | |
| Completeness [%] | 99.8 | |
| Redundancy | 5 | |
| CC(1/2) | 0.999 | 0.873 |
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 |
