4NFK
Crystal structure of human FPPS in complex with nickel, JDS05120, and sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-05 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.940, 110.940, 68.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.580 - 1.850 |
| R-factor | 0.1534 |
| Rwork | 0.152 |
| R-free | 0.18195 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4h5d |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.837 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.8.0049) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.580 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.049 | 0.470 |
| Number of reflections | 36445 | |
| <I/σ(I)> | 25.8 | 4.7 |
| Completeness [%] | 98.7 | 97.7 |
| Redundancy | 9.8 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.85M lithium sulfate, 0.01M nickel chloride, 15% glycerol, 0.09M TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
