4NFI
Crystal structure of human FPPS in complex with magnesium and JDS05120
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 | 2013-02-20 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.510, 110.510, 66.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.850 - 1.850 |
| R-factor | 0.16622 |
| Rwork | 0.165 |
| R-free | 0.19639 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4dem |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.857 |
| 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] | 50.850 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.042 | 0.437 |
| Number of reflections | 35614 | |
| <I/σ(I)> | 29.54 | 4.98 |
| Completeness [%] | 99.1 | 99.3 |
| Redundancy | 9.6 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 295 | 20% PEG 3350, 0.2M magnesium formate, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
