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 |