8XIZ
Crystal structure of an epoxide hydrolase mutant A250IC/L344V from Aspergillus usamii E001 at 2.17 Angstroms resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.049, 51.287, 133.812 |
| Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
| Resolution | 44.602 - 2.175 |
| R-factor | 0.1654 |
| Rwork | 0.162 |
| R-free | 0.22170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.814 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMPLE |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.890 | 2.180 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.070 | 0.070 |
| Number of reflections | 40335 | 6481 |
| <I/σ(I)> | 6.55 | |
| Completeness [%] | 97.8 | 97.83 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1 M sodium citrate tribasic dihydrate,pH5.5,18%(w/v) polyethylene glycol 3,350 |
