1JFG
TRICHODIENE SYNTHASE FROM FUSARIUM SPOROTRICHIOIDES COMPLEXED WITH DIPHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-03 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.01 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 122.574, 122.574, 150.869 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 * - 2.500 |
| R-factor | 0.22 * |
| Rwork | 0.217 |
| R-free | 0.25700 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jfa |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.580 |
| High resolution limit [Å] | 2.500 | 2.480 |
| Rmerge | 0.069 | 0.306 |
| Number of reflections | 46785 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 98.1 | 99.6 |
| Redundancy | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | PEG 4000, calcium chloride, sodium HEPES, pH 6.9, VAPOR DIFFUSION, HANGING DROP at 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 20 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH6.9 |
| 3 | 1 | reservoir | 50 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 6-10 (%(w/v)) |
