7GA8
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z1198158918
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 43 |
| Unit cell lengths | 60.829, 60.829, 35.527 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.700 - 1.870 |
| R-factor | 0.2185 |
| Rwork | 0.216 |
| R-free | 0.27430 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8q53 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.428 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.680 | 30.680 | 1.910 |
| High resolution limit [Å] | 1.870 | 8.970 | 1.870 |
| Rmerge | 0.083 | 0.102 | 4.560 |
| Rmeas | 0.087 | 0.107 | 4.725 |
| Rpim | 0.024 | 0.031 | 1.235 |
| Total number of observations | 150104 | 1203 | 9935 |
| Number of reflections | 10871 | 112 | 687 |
| <I/σ(I)> | 14.4 | 68.1 | 0.2 |
| Completeness [%] | 99.5 | 98.7 | 100 |
| Redundancy | 13.8 | 10.7 | 14.5 |
| CC(1/2) | 0.965 | 0.941 | 0.275 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 293 | 36% PEG 8000, 0.1M acetate pH 4.7 |
