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 |