3SDR
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 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.458, 54.479, 126.607 |
| Unit cell angles | 90.00, 119.37, 90.00 |
Refinement procedure
| Resolution | 38.292 - 1.860 |
| R-factor | 0.1796 |
| Rwork | 0.179 |
| R-free | 0.21230 |
| Structure solution method | MRSAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.944 |
| 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 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Number of reflections | 79327 | |
| <I/σ(I)> | 26.3 | 1.44 |
| Completeness [%] | 99.8 | 97.9 |
| Redundancy | 5.9 |
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 |
