5JV0
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.540, 111.540, 75.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.700 - 2.400 |
| R-factor | 0.17936 |
| Rwork | 0.176 |
| R-free | 0.23504 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4qxs |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.132 |
| 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] | 41.700 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.064 | 0.713 |
| Number of reflections | 17150 | |
| <I/σ(I)> | 31.9 | 2.1 |
| Completeness [%] | 88.4 | 52.4 |
| Redundancy | 12.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.85 M lithium sulfate, 0.425 M ammonium sulfate, 15% glycerol, 0.085 M tri-sodium citrate, pH 5.6 |
