7F2R
Crystal structure of VinK-VinL covalent complex formed with a pantetheineamide cross-linking probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.282, 148.224, 68.791 |
| Unit cell angles | 90.00, 91.08, 90.00 |
Refinement procedure
| Resolution | 40.160 - 1.950 |
| R-factor | 0.1957 |
| Rwork | 0.193 |
| R-free | 0.24140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5czd |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.849 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.047 | 0.332 |
| Rmeas | 0.065 | 0.462 |
| Number of reflections | 63757 | 4526 |
| <I/σ(I)> | 9.3 | 2 |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.998 | 0.896 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG8000, magnesium chloride, Tris-HCl |
