4H5D
Crystal structure of human FPPS in ternary complex with YS0470 and inorganic pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.527, 111.527, 66.242 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.020 |
| R-factor | 0.18104 |
| Rwork | 0.180 |
| R-free | 0.20302 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4dem |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.885 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.6.0117) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.057 | 0.484 |
| Number of reflections | 27996 | |
| <I/σ(I)> | 59.9 | 7.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 28.2 | 27.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 30% PEG 300, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
