27LJ
the structure of cis-isoeugenol synthase AtaIGS1 mutant
This is a non-PDB format compatible entry.
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 | 2022-12-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.264, 177.570, 71.530 |
| Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
| Resolution | 41.160 - 1.897 |
| R-factor | 0.168308682696 |
| Rwork | 0.168 |
| R-free | 0.19162 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.580 | 1.950 |
| High resolution limit [Å] | 1.897 | 1.900 |
| Number of reflections | 80536 | 5960 |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.994 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289.2 | 10% PEG 20 000, 20% PEG MME 550, 0.03 M of each NPS, 0.1 M bicine/Trizma base pH 8.5 |
