5XZ6
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 | 2013-12-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 89.410, 37.010, 101.135 |
| Unit cell angles | 90.00, 103.36, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.700 |
| R-factor | 0.22647 |
| Rwork | 0.220 |
| R-free | 0.28804 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.668 |
| 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] | 50.010 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.106 | 0.450 |
| Number of reflections | 9040 | 486 |
| <I/σ(I)> | 10.3 | 4.2 |
| Completeness [%] | 98.1 | 97.8 |
| Redundancy | 3.9 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | 15% PEG 6000, 0.1M Sodium citrate PH 5.5 |
