2OPN
Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527
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 | 2005-09-18 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.652, 111.652, 66.841 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.2724 |
| Rwork | 0.272 |
| R-free | 0.29790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yv5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.014 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.107 | 0.383 |
| Number of reflections | 12031 | |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 99.0 | 97.7 |
| Redundancy | 11.3 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 10% PEG 4K, 0.5M Phosphate Citrate buffer, pH 4.2, VAPOR DIFFUSION, SITTING DROP |
