5AEL
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2013-07-17 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.835, 118.250, 62.424 |
| Unit cell angles | 90.00, 112.39, 90.00 |
Refinement procedure
| Resolution | 85.490 - 2.600 |
| R-factor | 0.16712 |
| Rwork | 0.164 |
| R-free | 0.22957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1c |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.549 |
| Data reduction software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.490 | 2.660 |
| High resolution limit [Å] | 2.600 | 2.610 |
| Rmerge | 0.080 | |
| Number of reflections | 25663 | |
| <I/σ(I)> | 16.8 | 16.8 |
| Completeness [%] | 98.7 | 98.7 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 298 | 6% MPD, 0.1 AMMONIUM ACETATE, PH 5.75, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
