7GAQ
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z755044716
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 | 61.180, 61.180, 35.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.700 - 2.140 |
R-factor | 0.1906 |
Rwork | 0.188 |
R-free | 0.24440 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8q53 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.509 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.9) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.690 | 30.690 | 2.200 |
High resolution limit [Å] | 2.140 | 9.570 | 2.140 |
Rmerge | 0.377 | 0.098 | 4.262 |
Rmeas | 0.392 | 0.103 | 4.426 |
Rpim | 0.107 | 0.031 | 1.187 |
Total number of observations | 98511 | 956 | 7335 |
Number of reflections | 7415 | 95 | 532 |
<I/σ(I)> | 6.5 | 19.6 | 0.7 |
Completeness [%] | 100.0 | 98.4 | 100 |
Redundancy | 13.3 | 10.1 | 13.8 |
CC(1/2) | 0.995 | 0.997 | 0.217 |
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 |