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 |