3I98
X-ray crystallographic structure of Inorganic Pyrophosphatase at 298K from archaeon Thermococcus thioreducens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2009-03-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.92 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.112, 95.464, 113.677 |
| Unit cell angles | 90.00, 98.12, 90.00 |
Refinement procedure
| Resolution | 45.211 - 1.850 |
| R-factor | 0.15 |
| Rwork | 0.148 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1twl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.052 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 95841 | |
| Completeness [%] | 99.0 | 98.4 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 6 | 298 | Hepes, MPD, CaCl, pH 6, counter diffusion, temperature 298K |
