5ILZ
Tobacco 5-epi-aristolochene synthase with BIS-TRIS propane (BTP) buffer molecule
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 | 2013-10-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 125.030, 125.030, 117.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.375 - 1.920 |
| R-factor | 0.1838 |
| Rwork | 0.183 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5im1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.093 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.380 | 1.989 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.459 | 1.406 |
| Number of reflections | 71347 | |
| <I/σ(I)> | 4.62 | 0.69 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 11.4 | 6.3 |
| CC(1/2) | 0.949 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 100 mM BTP, pH 7, 75 mM Li Citrate, 12% PEG 8000 |
