2Y5L
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 | 2005-10-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.791, 285.084, 83.687 |
| Unit cell angles | 90.00, 97.30, 90.00 |
Refinement procedure
| Resolution | 142.860 - 2.200 |
| R-factor | 0.20745 |
| Rwork | 0.205 |
| R-free | 0.25375 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vt5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.321 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.210 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.080 | 0.750 |
| Number of reflections | 155315 | |
| <I/σ(I)> | 10.9 | 2.03 |
| Completeness [%] | 85.2 | 7.5 |
| Redundancy | 3.86 | 3.49 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
