44XF
Crystal structure of pyrophosphate-dependent phosphofructokinase from Promethearchaeum syntrophicum with phosphoenolpyruvate and Mg2+
Replaces: 9CITExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-30 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.95366 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.577, 71.995, 136.754 |
| Unit cell angles | 90.00, 90.71, 90.00 |
Refinement procedure
| Resolution | 45.580 - 2.570 |
| Rwork | 0.228 |
| R-free | 0.26790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.519 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.580 | 2.650 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmeas | 0.086 | 0.627 |
| Rpim | 0.025 | 0.180 |
| Number of reflections | 53020 | 4256 |
| <I/σ(I)> | 18.6 | 4.3 |
| Completeness [%] | 99.3 | |
| Redundancy | 12.1 | |
| CC(1/2) | 0.999 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 1 M MMT pH 9.0, 20-30 % PEG 1500 |
