2P1C
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-210
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 123.2 |
| Detector technology | CCD |
| Collection date | 2006-10-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 92.124, 92.124, 177.747 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.690 - 2.450 |
| R-factor | 0.266 |
| Rwork | 0.266 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ewg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| 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 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.087 | 0.664 |
| Number of reflections | 34615 | |
| <I/σ(I)> | 24.3 | |
| Completeness [%] | 95.7 | 69.7 |
| Redundancy | 9.1 | 5.1 |
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 |
