5JV2
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-055
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-23 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.410, 110.410, 76.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.210 - 2.300 |
| R-factor | 0.18894 |
| Rwork | 0.186 |
| R-free | 0.23658 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4qxs |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.157 |
| 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] | 55.210 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.048 | 0.972 |
| Number of reflections | 21337 | |
| <I/σ(I)> | 44.2 | 2.6 |
| Completeness [%] | 99.0 | 98.8 |
| Redundancy | 17 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1.6 M ammonium phosphate, 20% glycerol, 0.08 M TrisHCl, pH 8.5 |
