3CNT
Crystal structure of fms1 in complex with R-Bz-MeSpermidine
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) | 0.9779 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.858, 102.413, 77.204 |
| Unit cell angles | 90.00, 94.94, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.28970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yy5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.342 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.065 | 0.527 |
| Number of reflections | 40569 | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 93.2 | 51 |
| Redundancy | 3 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 20% PEG4000, 0.2M Li2SO4, 0.1M Tris-HCl, pH8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
