5DGS
Crystal structure of human FPPS in complex with the monophosphonate compound 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-18 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.962, 110.962, 74.772 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.170 - 2.620 |
| R-factor | 0.1927 |
| Rwork | 0.187 |
| R-free | 0.24330 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS (November 2005) |
| Data scaling software | SCALEPACK (August 2005) |
| Phasing software | CNX (2002) |
| Refinement software | BUSTER-TNT (BUSTER 2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.460 | 2.720 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.117 | 0.537 |
| Number of reflections | 14536 | |
| <I/σ(I)> | 17.84 | 5.57 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.8 | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 1.2M sodium potassium phosphate, 25% glycerol |
