8ITQ
Terpene cyclase AriE mutant - D128A
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 | 2022-12-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97851 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 83.900, 83.900, 163.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.770 - 2.070 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.19540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.738 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.900 | 2.130 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Number of reflections | 36523 | 2796 |
| <I/σ(I)> | 21.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 25 | |
| CC(1/2) | 0.996 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1000mM Potassium sodium tartrate, 100mM Imidazole/Hydrochloric acid pH8.0, 200mM Sodium chloride |
