8HLF
Crystal structure of DddK-DMSOP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.807, 92.804, 38.808 |
| Unit cell angles | 90.00, 117.76, 90.00 |
Refinement procedure
| Resolution | 26.660 - 1.620 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a53 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.911 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.660 | 1.678 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.056 | 0.191 |
| Rmeas | 0.067 | 0.227 |
| Rpim | 0.036 | 0.121 |
| Number of reflections | 28768 | 2802 |
| <I/σ(I)> | 22.5 | 6.4 |
| Completeness [%] | 98.3 | |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.996 | 0.947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | SPG buffer, PEG 1500 |
