2IF2
Crystal Structure of the Putative Dephospho-CoA Kinase from Aquifex aeolicus, Northeast Structural Genomics Target QR72.
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 | 2006-08-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.632, 97.013, 121.625 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.920 - 3.000 |
R-factor | 0.235 |
Rwork | 0.235 |
R-free | 0.28400 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.920 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.101 | 0.653 |
Number of reflections | 32628 | |
<I/σ(I)> | 18.4 | 2.6 |
Completeness [%] | 99.6 | 100 |
Redundancy | 5.8 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.15 | 291 | 100mM cacodylate, 30% PEG8k, 210mM ammonium sulfate, and 5mM DTT., pH 6.15, VAPOR DIFFUSION, SITTING DROP, temperature 291K |