4LA6
Crystal structure of 2-methylisoborneol synthase from Streptomyces coelicolor A3(2) in complex with Mg2+ and 2-fluoroneryl diphosphate
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 | 99.462, 99.462, 105.079 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.456 - 2.001 |
| R-factor | 0.1744 |
| Rwork | 0.173 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v1x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.086 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.127 | 0.857 |
| Number of reflections | 36220 | |
| <I/σ(I)> | 19.25 | 2.93 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 11.4 | 9.7 |
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 Li2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
