8PJL
DNA duplex forming base triplets in minor groove
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-16 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 |
| Unit cell lengths | 39.833, 39.833, 58.964 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.870 - 2.000 |
| R-factor | 0.1929 |
| Rwork | 0.191 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.632 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.650 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.150 | 1.100 |
| Rpim | 0.071 | |
| Number of reflections | 6283 | 462 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.7 | |
| CC(1/2) | 0.990 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 278 | A solution containing 20mM Na-cacodylate, 10 mM MgCl2, 0.6mM DNA was mixed in a 1:1 ratio with a solution containing 56.25% v/v (+/-)-2-methyl-2,4-pentanediol, 30 mM Na-cacodylate pH 6.0, 30 mM Na-cacodylate 3H2O, 12mM SrCl2 6H2O. Total drop volume was 400nL |
