3IFA
Human muscle fructose-1,6-bisphosphatase E69Q mutant in complex with AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 218.110, 234.260, 71.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.930 |
| R-factor | 0.16847 |
| Rwork | 0.168 |
| R-free | 0.19890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fj6 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.697 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.059 | 0.364 |
| Number of reflections | 128249 | |
| <I/σ(I)> | 22 | 2.1 |
| Completeness [%] | 92.7 | 57.2 |
| Redundancy | 4.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 1.6M ammonium sulfate, 0.1M MES pH 6.5, 10% 1,4-dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
