8OUT
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22
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 | 2020-06-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.043, 38.888, 62.691 |
| Unit cell angles | 90.00, 108.73, 90.00 |
Refinement procedure
| Resolution | 59.370 - 1.935 |
| R-factor | 0.1945 |
| Rwork | 0.193 |
| R-free | 0.22880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.760 |
| Data scaling software | autoPROC (1.0.5) |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.370 | 2.106 |
| High resolution limit [Å] | 1.935 | 1.935 |
| Rmerge | 0.100 | 0.838 |
| Rmeas | 0.119 | 1.003 |
| Rpim | 0.064 | 0.544 |
| Number of reflections | 13835 | 692 |
| <I/σ(I)> | 5.4 | 1.3 |
| Completeness [%] | 70.1 | 15.8 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.995 | 0.561 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 291 | 20% PEG 3350, 0.2 M magnesium acetate, 0.1 M HEPES/NaOH pH 7.5-7.9 |
