6TBE
LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99987 |
Spacegroup name | I 41 |
Unit cell lengths | 95.738, 95.738, 34.647 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.869 - 1.670 |
R-factor | 0.187369648755 |
Rwork | 0.186 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wal |
RMSD bond length | 0.011 |
RMSD bond angle | 0.988 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.869 | 47.869 | 1.790 |
High resolution limit [Å] | 1.670 | 4.710 | 1.670 |
Rmerge | 0.045 | 0.022 | 0.615 |
Rmeas | 0.047 | 0.024 | 0.661 |
Rpim | 0.013 | ||
Number of reflections | 18199 | 1564 | 6295 |
<I/σ(I)> | 32.19 | 71.89 | 2.8 |
Completeness [%] | 98.4 | 97.9 | 97.5 |
Redundancy | 13.8 | 6.997 | 7.305 |
CC(1/2) | 0.978 | 1.000 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M ammoniumnitrat and 20% w/v PEG 3350 |