2F94
Crystal structure of human FPPS in complex with ibandronate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.349, 111.349, 68.893 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.360 - 1.940 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNX (2005) |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.066 | 0.422 |
| Number of reflections | 32351 | 2472 |
| <I/σ(I)> | 24.3 | 6.72 |
| Completeness [%] | 99.2 | 96.3 |
| Redundancy | 13.4 | 11.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.4 | 292 | 0.1M zinc acetate, 0.1M sodium acetate, 12% PEG 4000, pH 4.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
