7A7G
Soluble epoxide hydrolase in complex with TK90
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 | 2019-11-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.808, 79.249, 90.443 |
| Unit cell angles | 90.00, 130.62, 90.00 |
Refinement procedure
| Resolution | 39.600 - 2.400 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fr2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.108 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.660 | 39.620 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.085 | 0.043 | 0.249 |
| Rmeas | 0.111 | 0.057 | 0.328 |
| Rpim | 0.071 | 0.036 | 0.211 |
| Total number of observations | 1021 | 5104 | |
| Number of reflections | 24408 | 455 | 2559 |
| <I/σ(I)> | 4.6 | 11.1 | 1.5 |
| Completeness [%] | 84.7 | 79.7 | 84.6 |
| Redundancy | 2.1 | 2.2 | 2 |
| CC(1/2) | 0.988 | 0.991 | 0.908 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.13 | 293 | 28% PEG6000, 70 mM Ammoniumacetat, 200 mM Magnesium acetat tetrahydrate |
