2I19
T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 123.2 |
| Detector technology | CCD |
| Collection date | 2006-04-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.214, 119.551, 62.438 |
| Unit cell angles | 90.00, 111.93, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.280 |
| R-factor | 0.2174 |
| Rwork | 0.217 |
| R-free | 0.24440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.019 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.073 | 0.424 |
| Number of reflections | 39495 | |
| <I/σ(I)> | 0.101 | |
| Completeness [%] | 91.0 | 56.5 |
| Redundancy | 6.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 298.15 | 10% MPD, 0.1 AMMONIUM ACETATE, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K |
