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 |
