7GAI
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z212122838
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 | 60.982, 60.982, 35.588 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.980 - 1.970 |
| R-factor | 0.2103 |
| Rwork | 0.207 |
| R-free | 0.28090 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8q53 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.541 |
| 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 | 2.020 |
| High resolution limit [Å] | 1.970 | 9.030 | 1.970 |
| Rmerge | 0.076 | 0.053 | 2.872 |
| Rmeas | 0.079 | 0.055 | 2.980 |
| Rpim | 0.022 | 0.017 | 0.793 |
| Total number of observations | 128225 | 1187 | 9138 |
| Number of reflections | 9444 | 113 | 650 |
| <I/σ(I)> | 14.7 | 51.6 | 0.4 |
| Completeness [%] | 99.9 | 99.7 | 98.4 |
| Redundancy | 13.6 | 10.5 | 14.1 |
| CC(1/2) | 0.998 | 0.994 | 0.259 |
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 |
