3Q46
Magnesium activated Inorganic pyrophosphatase from Thermococcus thioreducens bound to hydrolyzed product at 0.99 Angstrom resolution
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 | 2008-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 99.253, 99.253, 98.557 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.760 - 0.990 |
| R-factor | 0.111 |
| Rwork | 0.110 |
| R-free | 0.12300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ude |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.152 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.980 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.066 | 0.674 |
| Number of reflections | 94537 | |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 82.0 | 4.3 |
| Redundancy | 2.8 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | Hepes, Isopropanol, Magnesium Chloride, Sodium Pyrophosphate, pH 7.5, counter diffusion, free-interface diffusion, temperature 298K |
