2Y5K
Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2007-05-22 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.136, 82.784, 276.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.480 - 2.100 |
| R-factor | 0.24663 |
| Rwork | 0.244 |
| R-free | 0.29625 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vt5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.357 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 142.000 | 2.190 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.150 | 0.390 |
| Number of reflections | 87553 | |
| <I/σ(I)> | 8.39 | 3.45 |
| Completeness [%] | 90.8 | 51.6 |
| Redundancy | 5.97 | 3.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | RESERVOIR: 0.1M HEPES, PH 7.0, 0.1 M AMMONIUM ACETATE, 12% PEG 3350. |
