7GAJ
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z285233820
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 | 61.003, 61.003, 35.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.170 - 1.890 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.22890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8q53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.550 |
| 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] | 43.150 | 43.150 | 1.930 |
| High resolution limit [Å] | 1.890 | 9.070 | 1.890 |
| Rmerge | 0.113 | 0.044 | 5.099 |
| Rmeas | 0.118 | 0.047 | 5.288 |
| Rpim | 0.032 | 0.014 | 1.395 |
| Total number of observations | 145177 | 1183 | 9643 |
| Number of reflections | 10634 | 112 | 680 |
| <I/σ(I)> | 10.5 | 57.9 | 0.3 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 13.7 | 10.6 | 14.2 |
| CC(1/2) | 0.999 | 1.000 | 0.323 |
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 |
