4DEM
Crystal structure of human FPPS in complex with YS_04_70
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-10-13 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.230, 111.230, 67.724 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.17545 |
| Rwork | 0.174 |
| R-free | 0.20176 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n46 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.749 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.048 | 0.391 |
| Number of reflections | 36881 | |
| <I/σ(I)> | 50.4 | 8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 14.3 | 14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 30% PEG 300, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
