3SDU
Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.327, 54.994, 126.330 |
| Unit cell angles | 90.00, 119.30, 90.00 |
Refinement procedure
| Resolution | 48.339 - 1.890 |
| R-factor | 0.1681 |
| Rwork | 0.167 |
| R-free | 0.20500 |
| Structure solution method | MRSAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.934 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | Auto-Rickshaw |
| Refinement software | PHENIX ((phenix.refine: dev_778)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 74671 | |
| <I/σ(I)> | 20.7 | 1.4 |
| Completeness [%] | 99.5 | 93.4 |
| Redundancy | 7.3 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100 MM TRIS, 100 MM NACL, AND 23% (W/V) PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
