3BI5
Crystal structures of fms1 in complex with its inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.420, 103.002, 77.242 |
| Unit cell angles | 90.00, 94.30, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| Rwork | 0.228 |
| R-free | 0.29000 |
| Starting model (for MR) | native fms1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 22.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.079 | 0.206 |
| Number of reflections | 59607 | |
| Completeness [%] | 91.5 | 63.3 |
| Redundancy | 3.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 10% PEG3350, 200mM CaCl2, 100mM Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
