1O3L
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 285 |
Detector technology | IMAGE PLATE |
Collection date | 2002-02-21 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.730, 63.330, 69.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.400 |
R-factor | 0.208 |
Rwork | 0.208 |
R-free | 0.22000 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.020 |
RMSD bond angle | 3.800 |
Data reduction software | CrystalClear (1.3) |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.450 | 1.460 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.041 | 0.451 |
Number of reflections | 53170 | |
<I/σ(I)> | 9.6 | 0.9 |
Completeness [%] | 85.6 | |
Redundancy | 3.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (7.64). vapor diffusion at 298 K, pH 8.10 |