6N82
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
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 | 2018-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.920, 110.920, 77.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.430 - 2.000 |
| R-factor | 0.17377 |
| Rwork | 0.172 |
| R-free | 0.20442 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4xqr |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.867 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.430 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.043 | 1.244 |
| Rmeas | 0.045 | 1.298 |
| Rpim | 0.013 | 0.365 |
| Number of reflections | 33080 | 1624 |
| <I/σ(I)> | 25.9 | 2.4 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 12.9 | 12.4 |
| CC(1/2) | 1.000 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 1.36M tri-sodium citrate 15% (v/v) glycerol |
