8QD3
Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.480, 107.440, 92.720 |
| Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
| Resolution | 46.480 - 1.700 |
| R-factor | 0.19754 |
| Rwork | 0.196 |
| R-free | 0.22115 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.194 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.094 | 0.600 |
| Number of reflections | 173708 | 27645 |
| <I/σ(I)> | 6.7 | 1.9 |
| Completeness [%] | 94.6 | 95.7 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM K/Na tartrate, 25.5% PEG 3350 |
