9UGR
Crystal structure of Syn-F4-Link, a covalent dimer of Syn-F4 (K4T)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2021-10-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 61.440, 47.393, 70.128 |
| Unit cell angles | 90.00, 103.63, 90.00 |
Refinement procedure
| Resolution | 37.120 - 2.300 |
| R-factor | 0.27666 |
| Rwork | 0.274 |
| R-free | 0.32629 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.499 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.120 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.207 | 1.143 |
| Rmeas | 0.228 | 1.246 |
| Rpim | 0.092 | 0.491 |
| Number of reflections | 8823 | 866 |
| <I/σ(I)> | 6.9 | 2 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 6.4 | 6.3 |
| CC(1/2) | 0.982 | 0.646 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.11 M sodium malonate, 9.5% PEG 3350 |
