7GAD
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z1667545918
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 | 61.026, 61.026, 35.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.030 - 1.860 |
R-factor | 0.2036 |
Rwork | 0.201 |
R-free | 0.25810 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8q53 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.524 |
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] | 61.020 | 61.020 | 1.900 |
High resolution limit [Å] | 1.860 | 9.110 | 1.860 |
Rmerge | 0.082 | 0.043 | 5.795 |
Rmeas | 0.086 | 0.046 | 6.009 |
Rpim | 0.023 | 0.015 | 1.585 |
Total number of observations | 152869 | 1152 | 9459 |
Number of reflections | 11186 | 111 | 665 |
<I/σ(I)> | 15.2 | 83.7 | 0.2 |
Completeness [%] | 99.8 | 99.7 | 96.4 |
Redundancy | 13.7 | 10.4 | 14.2 |
CC(1/2) | 0.999 | 0.999 | 0.356 |
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 |