2RAH
Human FDPS synthase in complex with novel inhibitor
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 | 111.171, 111.171, 70.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.200 - 2.000 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.25800 |
| Starting model (for MR) | 1zw5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.188 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.200 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 0.200 |
| Number of reflections | 26598 | |
| <I/σ(I)> | 17.55 | 6.2 |
| Completeness [%] | 87.4 | 57.9 |
| Redundancy | 8.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.5 | 298 | 0.2M Ammonium sulfate, 15% isopropanol, 15% ethylene glycol, pH 4.5, vapor diffusion, temperature 298K |
