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 |