3CNP
Crystal structure of fms1 in complex with S-N1-AcMeSpermidine
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 | 102.214, 215.201, 117.589 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.700 - 2.500 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yy5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.650 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.072 | 0.641 |
| Number of reflections | 93521 | |
| <I/σ(I)> | 14.2 | 2.1 |
| Completeness [%] | 99.2 | 97.3 |
| Redundancy | 6.7 | 5.7 |
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 |
