7OND
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-20 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000314 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.586, 68.558, 81.179 |
| Unit cell angles | 90.00, 98.57, 90.00 |
Refinement procedure
| Resolution | 47.100 - 1.450 |
| R-factor | 0.1637 |
| Rwork | 0.163 |
| R-free | 0.18590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5y2x |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.823 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.100 | 1.502 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.062 | 0.373 |
| Rmeas | 0.403 | |
| Rpim | 0.151 | |
| Number of reflections | 90750 | 8968 |
| <I/σ(I)> | 18.68 | |
| Completeness [%] | 99.2 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.999 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 0.2 M Magnesium Chloride hexahydrate, 20 % w/v PEG 3350 |
