3DYH
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 123.2 |
| Detector technology | CCD |
| Collection date | 2008-07-22 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.915, 118.733, 63.036 |
| Unit cell angles | 90.00, 112.29, 90.00 |
Refinement procedure
| Resolution | 28.830 - 1.940 |
| R-factor | 0.24164 |
| Rwork | 0.240 |
| R-free | 0.28164 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.297 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.020 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.097 | 0.509 |
| Number of reflections | 65909 | |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 98.8 | 89.1 |
| Redundancy | 7.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 298 | 10% MPD, 0.1 AMMONIUM ACETATE, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
