3CNS
Crystal structure of fms1 in complex with S-Bz-MeSpermidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-03 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.91760 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.280, 215.133, 117.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.400 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yy5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.288 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.061 | 0.673 |
| Number of reflections | 100217 | |
| <I/σ(I)> | 16.6 | 2.1 |
| Completeness [%] | 98.2 | 89.7 |
| Redundancy | 6.8 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 20% PEG4000, 0.2M Li2SO4, 0.2M Tris-HCl, pH8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
