4LA5
Crystal structure of 2-methylisoborneol synthase from Streptomyces coelicolor A3(2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 99.451, 99.451, 104.891 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.725 - 1.849 |
| R-factor | 0.1872 |
| Rwork | 0.186 |
| R-free | 0.21450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v1v |
| RMSD bond length | 0.035 |
| RMSD bond angle | 2.402 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.075 | 0.012 |
| Number of reflections | 45481 | |
| <I/σ(I)> | 35.714 | 2.11 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 12.5 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 100 mM bis-Tris (pH 6.5), 25% polyethylene glycol 3350, 200 mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
