5XZ9
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.746, 36.790, 89.800 |
| Unit cell angles | 90.00, 123.82, 90.00 |
Refinement procedure
| Resolution | 74.610 - 2.000 |
| R-factor | 0.20633 |
| Rwork | 0.204 |
| R-free | 0.24797 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xoe |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.093 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.610 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 0.509 |
| Number of reflections | 22161 | 1627 |
| <I/σ(I)> | 12.5 | 3.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | 30% MPD, 0.5M Ammonium sulfate, 0.1M HEPES pH7.5 |
