8DEG
Crystal structure of DLK in complex with inhibitor DN0011197
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-04-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.837, 39.141, 62.781 |
Unit cell angles | 90.00, 106.99, 90.00 |
Refinement procedure
Resolution | 30.430 - 2.790 |
R-factor | 0.2508 |
Rwork | 0.248 |
R-free | 0.29660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Not public |
RMSD bond length | 0.002 |
RMSD bond angle | 1.225 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.430 | 2.900 |
High resolution limit [Å] | 2.790 | 2.800 |
Rmerge | 0.121 | 0.399 |
Number of reflections | 6597 | 539 |
<I/σ(I)> | 8.9 | 2.3 |
Completeness [%] | 96.3 | 81.2 |
Redundancy | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.7 | 293 | 0.2M Magnesium Acetate, 0.1M HEPES pH 7.7, 18% PEG 3350 |