5DIQ
Crystal structure of human FPPS in complex with salicylic acid derivative 3a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-16 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.629, 111.629, 76.835 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.090 - 2.100 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.21590 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX (2002) |
| Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.523 | 2.100 |
| Rmerge | 0.099 | 0.073 | 0.447 |
| Total number of observations | 391776 | ||
| Number of reflections | 28921 | ||
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 13.5 | 13.3 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 292 | 1.2M sodium potassium phosphate, 25% glycerol |
