8H4P
class I sesquiterpene synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-23 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.704, 59.416, 83.548 |
| Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
| Resolution | 24.790 - 1.470 |
| R-factor | 0.1722 |
| Rwork | 0.171 |
| R-free | 0.19750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AF predict model |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.070 | 0.225 |
| Number of reflections | 124613 | 6111 |
| <I/σ(I)> | 6.92 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2 M Ammonium sulfate, 0.1 M BIS-TRIS, pH 7.0, 25% w/v Polyethylene glycol 3,350 |
