3IDU
Crystal Structure of the CARDB domain of the PF1109 protein in complex with di-metal ions from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR193A
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 | 2009-06-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 24.551, 72.665, 58.456 |
| Unit cell angles | 90.00, 93.44, 90.00 |
Refinement procedure
| Resolution | 19.490 - 1.700 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2kl6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2 & XtalView) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.055 | 0.273 |
| Number of reflections | 43069 | |
| <I/σ(I)> | 21.1 | 3.34 |
| Completeness [%] | 95.8 | 85.2 |
| Redundancy | 3.1 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch, under oil | 5 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1M sodium acetate (pH 5), 20% PEG 4K, and 0.1M magnesium sulfate, Microbatch, under oil, temperature 291K |
