5ILI
Tobacco 5-epi-aristolochene synthase with CAPSO buffer molecule and Mg2+ ions
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 | 2013-09-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 126.170, 126.170, 124.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.270 - 1.900 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5im1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.922 |
| 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] | 44.270 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.098 | 1.494 |
| Number of reflections | 66883 | |
| <I/σ(I)> | 10.18 | 1.44 |
| Completeness [%] | 84.4 | 87.4 |
| Redundancy | 5.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 278 | 100 mM CAPSO, pH 8.5, 150 mM Mg Acetate, 10% PEG 8000 |
