8A1A
Structure of a leucinostatin derivative determined by host lattice display : L1F11V1 construct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 |
| Unit cell lengths | 191.866, 191.866, 122.409 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.280 - 2.050 |
| R-factor | 0.1625 |
| Rwork | 0.161 |
| R-free | 0.18510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qfk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 166.000 | 2.240 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.290 | |
| Rmeas | 0.294 | |
| Rpim | 0.045 | 0.510 |
| Number of reflections | 123411 | 6170 |
| <I/σ(I)> | 13.9 | 1.7 |
| Completeness [%] | 96.2 | 70.8 |
| Redundancy | 42.4 | 40.6 |
| CC(1/2) | 0.998 | 0.698 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.43 | 277 | 3.64 % PEG20000, 24.82 % MPD 0.2M NaCl, 0.01M MnCl2, 0.1M MES, pH 6.43 |
