7GAS
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z952016136
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 | 2023-02-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 43 |
| Unit cell lengths | 60.854, 60.854, 35.496 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.680 - 1.910 |
| R-factor | 0.2211 |
| Rwork | 0.219 |
| R-free | 0.27560 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8q53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.549 |
| 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] | 30.660 | 30.660 | 1.960 |
| High resolution limit [Å] | 1.910 | 8.960 | 1.910 |
| Rmerge | 0.141 | 0.110 | 7.310 |
| Rmeas | 0.146 | 0.115 | 7.580 |
| Rpim | 0.040 | 0.033 | 1.989 |
| Total number of observations | 140622 | 1202 | 9796 |
| Number of reflections | 10191 | 112 | 681 |
| <I/σ(I)> | 10.8 | 56.4 | 0.3 |
| Completeness [%] | 99.2 | 98.7 | 98.2 |
| Redundancy | 13.8 | 10.7 | 14.4 |
| CC(1/2) | 0.999 | 1.000 | 0.310 |
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 |
