5AFX
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A |
| Synchrotron site | PAL/PLS |
| Beamline | 7A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2014-11-29 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 132.471, 119.026, 63.470 |
| Unit cell angles | 90.00, 112.47, 90.00 |
Refinement procedure
| Resolution | 85.340 - 2.390 |
| R-factor | 0.26344 |
| Rwork | 0.259 |
| R-free | 0.33380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1c |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.402 |
| Data reduction software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.340 | 2.440 |
| High resolution limit [Å] | 2.390 | 2.400 |
| Rmerge | 0.060 | |
| Number of reflections | 31850 | |
| <I/σ(I)> | 14.1 | 14.1 |
| Completeness [%] | 93.3 | 92.6 |
| Redundancy | 4.4 | 4.4 |
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 |
