6N7Z
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-19 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.3418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.862, 110.862, 75.038 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.630 - 2.550 |
| R-factor | 0.23439 |
| Rwork | 0.232 |
| R-free | 0.28103 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4xqr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.584 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.210 | 2.650 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.096 | 0.571 |
| Number of reflections | 15822 | 1687 |
| <I/σ(I)> | 14.46 | 2.73 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 15.98 | 16.27 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.08 M TrisHCl pH 8.5, 1.6 M Ammonium phosphate, 20% (v/v) glycerol |
