3RYE
Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate
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 | 111.311, 111.311, 69.713 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.200 - 2.100 |
| R-factor | 0.18548 |
| Rwork | 0.185 |
| R-free | 0.23856 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vf6 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.980 |
| 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] | 35.200 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.040 | 0.200 |
| Number of reflections | 23382 | |
| <I/σ(I)> | 16.5 | 5.7 |
| Completeness [%] | 94.4 | 65 |
| Redundancy | 4.3 | 3.8 |
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 |
