9CIT
Crystal structure of pyrophosphate-dependent phosphofructokinase from Candidatus Prometheoarchaeum syntrophicum with phosphoenolpyruvate, phosphate and Mg2+
Experimental 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 |
| R-factor | 0.2189 |
| Rwork | 0.216 |
| R-free | 0.27450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.925 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.580 | 2.660 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.090 | 0.730 |
| Rmeas | 0.090 | 0.760 |
| Rpim | 0.030 | 0.200 |
| Number of reflections | 53047 | 4220 |
| <I/σ(I)> | 19.1 | 4.5 |
| Completeness [%] | 99.3 | 93.64 |
| Redundancy | 14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 1 M MMT pH 9.0, 30 % PEG 1500 |
