7P4K
Soluble epoxide hydrolase in complex with FL217
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 | 127.820, 79.326, 88.599 |
| Unit cell angles | 90.00, 126.65, 90.00 |
Refinement procedure
| Resolution | 44.020 - 2.150 |
| R-factor | 0.1796 |
| Rwork | 0.177 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fr2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.169 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.020 | 2.220 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 35542 | 3151 |
| <I/σ(I)> | 7.4 | 2.1 |
| Completeness [%] | 92.0 | |
| Redundancy | 2.5 | |
| CC(1/2) | 0.996 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 28 % (w/v) polyethylenglycol (PEG) 6000, 70 mM ammonium acetat, 200 mM magnesium acetat, 100 mM sodium cacodylate at pH 6.13 |
