5DGM
Crystal structure of human FPPS in complex with monophosphonate compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-12 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.723, 110.723, 76.775 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.800 - 2.860 |
| R-factor | 0.1889 |
| Rwork | 0.185 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS (December 2004) |
| Data scaling software | XSCALE (December 2003) |
| Phasing software | CNS (CNX 2005) |
| Refinement software | BUSTER-TNT (1.11.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.000 | 2.960 | |
| High resolution limit [Å] | 2.860 | 13.910 | 2.860 |
| Rmerge | 0.096 | 0.043 | 0.443 |
| Rmeas | 0.100 | 0.046 | 0.460 |
| Total number of observations | 157936 | ||
| Number of reflections | 11498 | 125 | 1095 |
| <I/σ(I)> | 21.05 | 45.24 | 6.29 |
| Completeness [%] | 99.9 | 96.2 | 99.8 |
| Redundancy | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 1.2M sodium potassium phosphate, 25% glycerol |
