1TWD
Crystal Structure of the Putative Copper Homeostasis Protein (CutC) from Shigella flexneri, Northeast Structural Genomics Target SfR33
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97916 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.625, 97.515, 131.224 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.800 - 1.700 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.21500 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB (then SOLVE/RESOLVE) |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.065 | 0.260 |
Number of reflections | 94398 | |
<I/σ(I)> | 21.87 | 6.64 |
Completeness [%] | 96.2 | 90.7 |
Redundancy | 6.74 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10mM Tris, pH 7.5, 14% PEG3350, 140mM MgCl2, and 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K |