3Q4W
The structure of archaeal inorganic pyrophosphatase in complex with substrate
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 | 2008-12-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.07 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 100.046, 100.046, 98.711 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.881 - 1.441 |
| R-factor | 0.1108 |
| Rwork | 0.109 |
| R-free | 0.13920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ude |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.253 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.460 |
| High resolution limit [Å] | 1.440 | 3.910 | 1.440 |
| Rmerge | 0.047 | 0.025 | 0.360 |
| Number of reflections | 32854 | ||
| <I/σ(I)> | 15.2 | ||
| Completeness [%] | 94.3 | 87.3 | 82.8 |
| Redundancy | 3.5 | 4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Isopropanol, Calcium Chloride, Sodium Pyrophosphate, Sodium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
