5XZA
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with ADP
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 | 2015-06-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.086, 36.807, 89.862 |
| Unit cell angles | 90.00, 124.01, 90.00 |
Refinement procedure
| Resolution | 49.360 - 1.900 |
| R-factor | 0.19119 |
| Rwork | 0.189 |
| R-free | 0.22923 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xoe |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.058 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.074 | 0.378 |
| Number of reflections | 25669 | |
| <I/σ(I)> | 20.8 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.8 |
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 |
