4RNQ
Crystal structure of tobacco 5-epi-aristolochene synthase (TEAS) with anilinogeranyl diphosphate (AGPP) and geraniline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 126.750, 126.750, 124.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.072 - 2.470 |
| R-factor | 0.1775 |
| Rwork | 0.175 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.045 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.460 | 2.560 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.123 | 0.997 |
| Total number of observations | 11919 | |
| Number of reflections | 35371 | |
| <I/σ(I)> | 11.2 | 1.1 |
| Completeness [%] | 95.7 | 79.6 |
| Redundancy | 8.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 1:1 protein:MOPSO7 100mM, MgOAc 100 mM, PEG8000 10%, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
