1NQY
The structure of a CoA pyrophosphatase from D. Radiodurans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2000-07-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.009 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 40.610, 94.185, 43.908 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.090 |
| Rwork | 0.200 |
| R-free | 0.27900 |
| Structure solution method | MIR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.370 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 2.090 | |
| Rmerge | 0.061 * | |
| Total number of observations | 161533 * | |
| Number of reflections | 10529 | |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 99.2 | 94.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 20 * | PEG1500, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | drop | Tris | 50 (mM) | pH7.5 |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | reservoir | PEG1500 | 27 (%) | |
| 5 | 1 | reservoir | sodium citrate | 100 (mM) | pH6.0 |
