3S4J
Human FDPS Synthase in Complex with a Rigid Analog of Risedronate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-03 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.198, 111.198, 69.598 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.200 - 1.950 |
| R-factor | 0.18788 |
| Rwork | 0.188 |
| R-free | 0.23053 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vf6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.201 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.200 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.040 | |
| Number of reflections | 26027 | |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 84.6 | 64.1 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.2 M Ammonium Sulfate, 15% Isopropanol, 15% Ethylene Glycol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
