6IX4
Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 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 | 2018-11-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.365, 51.922, 133.488 |
| Unit cell angles | 90.00, 90.97, 90.00 |
Refinement procedure
| Resolution | 43.867 - 1.511 |
| R-factor | 0.1452 |
| Rwork | 0.144 |
| R-free | 0.16510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qo7 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMPLE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.540 |
| High resolution limit [Å] | 1.510 | 4.100 | 1.510 |
| Rmerge | 0.061 | 0.032 | 0.271 |
| Rmeas | 0.066 | 0.034 | 0.294 |
| Rpim | 0.025 | 0.013 | 0.113 |
| Total number of observations | 823528 | ||
| Number of reflections | 122867 | 6365 | 6103 |
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 99.6 | 99.7 | 99.3 |
| Redundancy | 6.7 | 6.7 | 6.6 |
| CC(1/2) | 0.999 | 0.964 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M HEPES, pH 6.5, 25%(w/v) Polyethylene glycol 3350 |
