5DGN
Crystal structure of human FPPS in complex with compound 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-15 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.462, 110.462, 76.371 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.570 - 2.080 |
| R-factor | 0.1935 |
| Rwork | 0.190 |
| R-free | 0.22840 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS (December 2004) |
| Data scaling software | XSCALE (December 2003) |
| Phasing software | CNX (2005) |
| Refinement software | BUSTER-TNT (1.11.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.000 | 2.150 | |
| High resolution limit [Å] | 2.080 | 10.500 | 2.080 |
| Rmerge | 0.117 | 0.053 | 0.490 |
| Rmeas | 0.122 | 0.056 | 0.523 |
| Total number of observations | 346184 | ||
| Number of reflections | 28256 | 201 | 2262 |
| <I/σ(I)> | 14.63 | 31.96 | 4 |
| Completeness [%] | 97.6 | 71.5 | 84.9 |
| Redundancy | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 292 | 1.2M sodium potassium phosphate, 25% glycerol |
