3DYG
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 123.2 |
| Detector technology | CCD |
| Collection date | 2006-06-06 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.565, 118.520, 63.186 |
| Unit cell angles | 90.00, 112.36, 90.00 |
Refinement procedure
| Resolution | 29.220 - 2.100 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ewg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.240 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.098 | 0.530 |
| Number of reflections | 53536 | |
| <I/σ(I)> | 0.101 | |
| Completeness [%] | 99.1 | 98.3 |
| Redundancy | 7.6 | 7.6 |
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 |
