8BDM
VCB in complex with compound 26
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99971 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 92.894, 92.894, 364.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.740 - 2.021 |
| R-factor | 0.2261 |
| Rwork | 0.225 |
| R-free | 0.25540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nw1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.X) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.170 | 2.027 |
| High resolution limit [Å] | 2.020 | 2.021 |
| Rmerge | 0.095 | 3.824 |
| Rmeas | 0.099 | 3.967 |
| Rpim | 0.027 | 1.052 |
| Number of reflections | 100347 | 1007 |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 95.0 | 100 |
| Redundancy | 13.1 | 14.1 |
| CC(1/2) | 1.000 | 0.361 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10-20% PEG 8000, 0.2 M magnesium acetate and 0.1 M sodium cacodylate pH 6.5, soaked with 1mM compound |
