3R6E
The structure of Thermococcus thioreducens' inorganic pyrophosphatase bound to sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.776, 67.283, 74.139 |
| Unit cell angles | 105.92, 106.58, 101.92 |
Refinement procedure
| Resolution | 27.364 - 1.180 |
| R-factor | 0.1228 |
| Rwork | 0.123 |
| R-free | 0.14780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i98 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.421 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.2.4) |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.140 |
| Rmerge | 0.081 |
| Number of reflections | 343378 |
| Completeness [%] | 88.0 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | ammonium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
