3SDQ
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 | 157.220, 54.311, 126.919 |
Unit cell angles | 90.00, 119.43, 90.00 |
Refinement procedure
Resolution | 41.174 - 2.140 |
R-factor | 0.1738 |
Rwork | 0.172 |
R-free | 0.22780 |
Structure solution method | MRSAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.017 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX ((phenix.refine: dev_764)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.160 |
High resolution limit [Å] | 2.140 | 2.140 |
Number of reflections | 49035 | |
<I/σ(I)> | 19.2 | 1.44 |
Completeness [%] | 94.3 | 67.2 |
Redundancy | 6.5 | 3.4 |
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 |