5DHK
Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - alkylated
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 | 2014-02-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 126.690, 126.690, 122.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.420 - 2.430 |
| R-factor | 0.1963 |
| Rwork | 0.194 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eas |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.834 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.420 | 2.517 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 1.018 | |
| Number of reflections | 36829 | |
| <I/σ(I)> | 32.44 | 1.26 |
| Completeness [%] | 96.9 | 84 |
| Redundancy | 8.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG 8000, MgCl2, MOPSO |
