7GAG
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z198195770
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 | 2023-02-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 43 |
| Unit cell lengths | 61.005, 61.005, 35.485 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.010 - 1.590 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21490 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8q53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.542 |
| 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] | 61.000 | 61.000 | 1.620 |
| High resolution limit [Å] | 1.590 | 8.700 | 1.590 |
| Rmerge | 0.092 | 0.093 | 3.870 |
| Rmeas | 0.095 | 0.099 | 4.040 |
| Rpim | 0.026 | 0.031 | 1.150 |
| Total number of observations | 241587 | 1325 | 10881 |
| Number of reflections | 17826 | 125 | 896 |
| <I/σ(I)> | 11.9 | 42.7 | 0.3 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 13.6 | 10.6 | 12.1 |
| CC(1/2) | 0.997 | 0.989 | 0.307 |
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 |
