7X36
Crystal Structure of hetero-Diels-Alderase EupfF
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 | 2021-09-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.944, 76.526, 147.781 |
| Unit cell angles | 90.00, 104.03, 90.00 |
Refinement procedure
| Resolution | 46.900 - 1.920 |
| R-factor | 0.2064 |
| Rwork | 0.204 |
| R-free | 0.24460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7x2n |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.934 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.080 | 0.697 |
| Rmeas | 0.100 | 0.871 |
| Rpim | 0.059 | 0.515 |
| Number of reflections | 146341 | 7184 |
| <I/σ(I)> | 12.1 | 2 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 5.1 | 5.2 |
| CC(1/2) | 0.997 | 0.848 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M Ammonium acetate, 0.1 M Sodium acetate, PH=5.0, 20%(w/v) PEG4000 |
