5KSX
Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-28 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.480, 110.480, 75.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.240 - 2.650 |
| R-factor | 0.17451 |
| Rwork | 0.171 |
| R-free | 0.24291 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4xqr |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.075 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.8.0123) |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.240 | 2.720 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.085 | 1.037 |
| Number of reflections | 14007 | |
| <I/σ(I)> | 26.7 | 1.9 |
| Completeness [%] | 99.8 | 98 |
| Redundancy | 12.5 | 7.7 |
| CC(1/2) | 0.999 | 0.748 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 0.6 M sodium phosphate, 0.6 M potassium phosphate, 25% glycerol, 0.075 M HEPES, pH 7.5 |
