5XZ8
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate (the ATP analog) and fructose-6-phosphate
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 | 2014-01-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 75.360, 79.830, 120.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.530 - 1.950 |
| R-factor | 0.21261 |
| Rwork | 0.210 |
| R-free | 0.26222 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xoe |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.861 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.530 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.133 | 0.377 |
| Number of reflections | 26662 | 3860 |
| <I/σ(I)> | 9.6 | 5.3 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | 15% PEG4000, 0.1M MES PH 6.0 , 0.15M(NH4)2SO4 |
