8BDJ
VCB in complex with compound 30
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 | 2021-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 93.334, 93.334, 365.296 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.330 - 2.020 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.23940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nw1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.821 |
| 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] | 91.330 | 2.168 |
| High resolution limit [Å] | 2.016 | 2.016 |
| Rmerge | 0.135 | 2.690 |
| Rmeas | 0.138 | 2.799 |
| Rpim | 0.027 | 0.772 |
| Number of reflections | 88515 | 4426 |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 26.6 | 24.4 |
| CC(1/2) | 0.998 | 0.630 |
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, 1 mM Compound soak |
