3LG5
F198A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.243, 47.179, 75.568 |
| Unit cell angles | 90.00, 95.57, 90.00 |
Refinement procedure
| Resolution | 37.606 - 1.641 |
| R-factor | 0.1582 |
| Rwork | 0.157 |
| R-free | 0.19010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kb9 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.572 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Number of reflections | 45831 | |
| <I/σ(I)> | 20.55 | 5.7 |
| Completeness [%] | 100 | |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 275 | 25% PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.2 M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 275K |
