6MIK
Crystal structure of host-guest complex with PP hachimoji DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.19499 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 55.152, 145.849, 46.849 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.416 - 1.700 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.966 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.420 | 39.420 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.095 | 0.070 | 0.836 |
| Rmeas | 0.108 | 0.082 | 0.946 |
| Rpim | 0.050 | 0.042 | 0.436 |
| Total number of observations | 189052 | ||
| Number of reflections | 42311 | 350 | 2219 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 99.5 | 99 | 99.3 |
| Redundancy | 4.5 | 3.8 | 4.4 |
| CC(1/2) | 0.992 | 0.989 | 0.666 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 8 % PEG 4000, 5 mM magnesium acetate and 50 mM ADA (pH 6.5) |
