5DJP
Crystal structure of human FPPS in complex with biaryl compound 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-17 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.430, 111.430, 71.764 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.290 - 2.400 |
| R-factor | 0.2202 |
| Rwork | 0.219 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.173 | 2.400 |
| Rmerge | 0.072 | 0.039 | 0.488 |
| Total number of observations | 217855 | ||
| Number of reflections | 18108 | ||
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 99.5 | 96.9 | 99.9 |
| Redundancy | 12 | 12.6 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 292 | 1.2M sodium potassium phosphate, 25% glycerol |
