8QPT
Crystal structure of pyrophosphatase from Ogataea parapolymorpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-21 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.724, 83.035, 64.975 |
| Unit cell angles | 90.00, 96.89, 90.00 |
Refinement procedure
| Resolution | 21.000 - 1.800 |
| R-factor | 0.1724 |
| Rwork | 0.170 |
| R-free | 0.21215 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.080 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.074 | 0.836 |
| Rmeas | 0.080 | 0.908 |
| Rpim | 0.031 | 0.350 |
| Total number of observations | 365344 | 21629 |
| Number of reflections | 55406 | 3268 |
| <I/σ(I)> | 18.9 | 2.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | 6.6 |
| CC(1/2) | 0.999 | 0.831 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 285 | 9% P6K, 0.1M Tris pH 8.6, 0.1 M natrium formiat |
