4E1E
Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-hexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 58.575, 58.575, 393.933 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.969 - 2.650 |
| R-factor | 0.2351 |
| Rwork | 0.232 |
| R-free | 0.30820 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4dwg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.133 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.656 | 30.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 7.160 | 2.650 |
| Rmerge | 0.105 | 0.050 | 0.473 |
| Number of reflections | 12287 | ||
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 95.7 | 61.6 | 99.8 |
| Redundancy | 14.2 | 9.1 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | PEG4000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
