6MIG
Crystal structure of host-guest complex with PB 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 | 55.213, 145.900, 46.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.468 - 1.700 |
| R-factor | 0.224 |
| Rwork | 0.222 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.470 | 39.470 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.054 | 0.024 | 0.886 |
| Rmeas | 0.062 | 0.028 | 1.006 |
| Rpim | 0.028 | 0.014 | 0.468 |
| Total number of observations | 1336 | 9463 | |
| Number of reflections | 42391 | 350 | 2216 |
| <I/σ(I)> | 13.9 | 40 | 1.7 |
| Completeness [%] | 99.4 | 98 | 98.5 |
| Redundancy | 4.4 | 3.8 | 4.3 |
| CC(1/2) | 0.999 | 0.999 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 8 % PEG 4000, 5 mM magnesium acetate and 50 mM ADA (pH 6.5) |
