4DI5
Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 126.448, 126.448, 122.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.357 - 2.300 |
| R-factor | 0.2041 |
| Rwork | 0.203 |
| R-free | 0.24630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.035 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 34.357 |
| High resolution limit [Å] | 2.300 |
| Number of reflections | 38079 |
| <I/σ(I)> | 12.5 |
| Completeness [%] | 85.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7 | 277.15 | PEG 8K, MOPSO, MgAcetate, pH 7, hanging drop, temperature 277.15K |
